CID 492249

Fspbvnhahohdoq-uhfffaoysa-n

Structural Information

Molecular Formula
C47H33F18P3
SMILES
CC(CP(C1=CC=CC(=C1)C(F)(F)F)C2=CC=CC(=C2)C(F)(F)F)(CP(C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC(=C4)C(F)(F)F)CP(C5=CC=CC(=C5)C(F)(F)F)C6=CC=CC(=C6)C(F)(F)F
InChI
InChI=1S/C47H33F18P3/c1-41(26-66(35-14-2-8-29(20-35)42(48,49)50)36-15-3-9-30(21-36)43(51,52)53,27-67(37-16-4-10-31(22-37)44(54,55)56)38-17-5-11-32(23-38)45(57,58)59)28-68(39-18-6-12-33(24-39)46(60,61)62)40-19-7-13-34(25-40)47(63,64)65/h2-25H,26-28H2,1H3
InChIKey
FSPBVNHAHOHDOQ-UHFFFAOYSA-N
Compound name
[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

1032.1508 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1033.1581 332.0
[M+Na]+ 1055.1400 334.4
[M-H]- 1031.1435 324.8
[M+NH4]+ 1050.1846 319.3
[M+K]+ 1071.1140 324.9
[M+H-H2O]+ 1015.1481 299.3
[M+HCOO]- 1077.1490 329.3
[M+CH3COO]- 1091.1647 314.2
[M+Na-2H]- 1053.1255 316.1
[M]+ 1032.1503 308.6
[M]- 1032.1513 308.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.