325459-92-5 (C48H24F51P)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(C2=CC=C(C=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=C(C=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C48H24F51P/c49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)16-13-19-1-7-22(8-2-19)100(23-9-3-20(4-10-23)14-17-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-11-5-21(6-12-24)15-18-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99/h1-12H,13-18H2

InChIKey

MTUBRWIMDWTZST-UHFFFAOYSA-N

Compound name

tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1601.087376	334.4
[M+Na]+	1623.069318	335.4
[M-H]-	1599.072824	344.8
[M+NH4]+	1618.113923	341.8
[M+K]+	1639.043258	344.7
[M+H-H2O]+	1583.077360	325.9
[M+HCOO]-	1645.078301	341.6
[M+CH3COO]-	1659.093951	280.4
[M+Na-2H]-	1621.054766	333.8
[M]+	1600.07955142	322.5
[M]-	1600.08064858	322.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1601.087376

334.4

[M+Na]+

1623.069318

335.4

[M-H]-

1599.072824

344.8

[M+NH4]+

1618.113923

341.8

[M+K]+

1639.043258

344.7

[M+H-H2O]+

1583.077360

325.9

[M+HCOO]-

1645.078301

341.6

[M+CH3COO]-

1659.093951

280.4

[M+Na-2H]-

1621.054766

333.8

[M]+

1600.07955142

322.5

[M]-

1600.08064858

322.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

325459-92-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe