CID 139448

Tris(4-trifluoromethylphenyl)phosphine

Structural Information

Molecular Formula
C21H12F9P
SMILES
C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C21H12F9P/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30/h1-12H
InChIKey
PXYCJKZSCDFXLR-UHFFFAOYSA-N
Compound name
tris[4-(trifluoromethyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

724
Patents

466.05328 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06056 208.0
[M+Na]+ 489.04250 216.8
[M-H]- 465.04600 205.3
[M+NH4]+ 484.08710 216.2
[M+K]+ 505.01644 208.6
[M+H-H2O]+ 449.05054 189.3
[M+HCOO]- 511.05148 220.1
[M+CH3COO]- 525.06713 233.7
[M+Na-2H]- 487.02795 203.8
[M]+ 466.05273 195.8
[M]- 466.05383 195.8
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