CID 4438233

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

Structural Information

Molecular Formula
C48H24F51P
SMILES
C1=CC(=CC(=C1)P(C2=CC=CC(=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=CC(=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)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)13-10-19-4-1-7-22(16-19)100(23-8-2-5-20(17-23)11-14-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-9-3-6-21(18-24)12-15-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99/h1-9,16-18H,10-15H2
InChIKey
CDBCINRKCMNDNI-UHFFFAOYSA-N
Compound name
tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

1600.0801 Da
Monoisotopic Mass

23.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe