PubChemLite - Tris[4-(tridecafluorohexyl)phenyl]phosphine (C36H12F39P)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(C2=CC=C(C=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=C(C=C3)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C36H12F39P/c37-19(38,22(43,44)25(49,50)28(55,56)31(61,62)34(67,68)69)13-1-7-16(8-2-13)76(17-9-3-14(4-10-17)20(39,40)23(45,46)26(51,52)29(57,58)32(63,64)35(70,71)72)18-11-5-15(6-12-18)21(41,42)24(47,48)27(53,54)30(59,60)33(65,66)36(73,74)75/h1-12H

InChIKey

PJQMFFDXUGYQTO-UHFFFAOYSA-N

Compound name

tris[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)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]+	1217.0127	278.0
[M+Na]+	1238.9946	281.0
[M-H]-	1214.9981	289.6
[M+NH4]+	1234.0392	289.4
[M+K]+	1254.9686	293.4
[M+H-H2O]+	1199.0027	265.3
[M+HCOO]-	1261.0036	292.7
[M+CH3COO]-	1275.0193	290.1
[M+Na-2H]-	1236.9801	278.3
[M]+	1216.0049	271.5
[M]-	1216.0059	271.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1217.0127

278.0

[M+Na]+

1238.9946

281.0

[M-H]-

1214.9981

289.6

[M+NH4]+

1234.0392

289.4

[M+K]+

1254.9686

293.4

[M+H-H2O]+

1199.0027

265.3

[M+HCOO]-

1261.0036

292.7

[M+CH3COO]-

1275.0193

290.1

[M+Na-2H]-

1236.9801

278.3

[M]+

1216.0049

271.5

[M]-

1216.0059

271.5

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

Tris[4-(tridecafluorohexyl)phenyl]phosphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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