CID 4379933

13685-24-0

Structural Information

Molecular Formula
C14H8ClF6P
SMILES
C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl
InChI
InChI=1S/C14H8ClF6P/c15-22(11-5-1-9(2-6-11)13(16,17)18)12-7-3-10(4-8-12)14(19,20)21/h1-8H
InChIKey
PBLUOOURLNAOAJ-UHFFFAOYSA-N
Compound name
chloro-bis[4-(trifluoromethyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

355.99564 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.00292 172.9
[M+Na]+ 378.98486 182.9
[M-H]- 354.98836 171.1
[M+NH4]+ 374.02946 187.2
[M+K]+ 394.95880 175.6
[M+H-H2O]+ 338.99290 159.4
[M+HCOO]- 400.99384 187.1
[M+CH3COO]- 415.00949 211.9
[M+Na-2H]- 376.97031 171.9
[M]+ 355.99509 167.6
[M]- 355.99619 167.6
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

patents stripe