CID 427970

74038-21-4

Structural Information

Molecular Formula
C21H12F9OP
SMILES
C1=CC(=CC(=C1)P(=O)(C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H12F9OP/c22-19(23,24)13-4-1-7-16(10-13)32(31,17-8-2-5-14(11-17)20(25,26)27)18-9-3-6-15(12-18)21(28,29)30/h1-12H
InChIKey
OGHXTNZVJNEQJH-UHFFFAOYSA-N
Compound name
1-bis[3-(trifluoromethyl)phenyl]phosphoryl-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.04822 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.05550 195.0
[M+Na]+ 505.03744 197.8
[M+NH4]+ 500.08204 194.8
[M+K]+ 521.01138 194.3
[M-H]- 481.04094 189.7
[M+Na-2H]- 503.02289 195.3
[M]+ 482.04767 193.6
[M]- 482.04877 193.6
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.