CID 5106510

166172-69-6

Structural Information

Molecular Formula
C16H7F12P
SMILES
C1=C(C=C(C=C1C(F)(F)F)PC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H7F12P/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6,29H
InChIKey
OTQIBIWGQUJMOM-UHFFFAOYSA-N
Compound name
bis[3,5-bis(trifluoromethyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

458.00937 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.01665 202.0
[M+Na]+ 480.99859 213.4
[M-H]- 457.00209 193.9
[M+NH4]+ 476.04319 211.3
[M+K]+ 496.97253 205.9
[M+H-H2O]+ 441.00663 183.4
[M+HCOO]- 503.00757 210.7
[M+CH3COO]- 517.02322 232.1
[M+Na-2H]- 478.98404 198.2
[M]+ 458.00882 186.5
[M]- 458.00992 186.5
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

patents stripe