CID 139239874

1583263-44-8

Structural Information

Molecular Formula
C33H28F3NP2
SMILES
C1=CC=C(C=C1)P(CN(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5
InChI
InChI=1S/C33H28F3NP2/c34-33(35,36)27-14-13-15-28(24-27)37(25-38(29-16-5-1-6-17-29)30-18-7-2-8-19-30)26-39(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-26H2
InChIKey
XQCYDEACIXDQON-UHFFFAOYSA-N
Compound name
N,N-bis(diphenylphosphanylmethyl)-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.1649 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.17218 240.0
[M+Na]+ 580.15412 239.5
[M-H]- 556.15762 247.1
[M+NH4]+ 575.19872 242.3
[M+K]+ 596.12806 231.9
[M+H-H2O]+ 540.16216 218.5
[M+HCOO]- 602.16310 263.7
[M+CH3COO]- 616.17875 256.9
[M+Na-2H]- 578.13957 231.2
[M]+ 557.16435 233.2
[M]- 557.16545 233.2
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.