CID 90472073

Bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)phenyl]phosphane

Structural Information

Molecular Formula
C42H14F49P
SMILES
C1=CC(=CC=C1C(C(C(CC(C(C(C(F)(F)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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=C(C=C3)C(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/C42H14F49P/c43-20(44,13-21(45,46)26(55,56)37(77,78)40(83,84)85)25(53,54)22(47,48)14-1-7-17(8-2-14)92(18-9-3-15(4-10-18)23(49,50)27(57,58)29(61,62)31(65,66)33(69,70)35(73,74)38(79,80)41(86,87)88)19-11-5-16(6-12-19)24(51,52)28(59,60)30(63,64)32(67,68)34(71,72)36(75,76)39(81,82)42(89,90)91/h1-12H,13H2
InChIKey
LFOIJJCVEAHCEW-UHFFFAOYSA-N
Compound name
bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1480.0051 Da
Monoisotopic Mass

21.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1481.0124 318.6
[M+Na]+ 1502.9943 320.0
[M-H]- 1478.9978 329.6
[M+NH4]+ 1498.0389 326.8
[M+K]+ 1518.9683 329.9
[M+H-H2O]+ 1463.0024 309.5
[M+HCOO]- 1525.0033 327.4
[M+CH3COO]- 1539.0190 280.9
[M+Na-2H]- 1500.9798 319.0
[M]+ 1480.0046 307.5
[M]- 1480.0056 307.5
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

No patent data available for this compound.