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 231.2
[M+Na]+ 580.15412 243.6
[M+NH4]+ 575.19872 236.9
[M+K]+ 596.12806 233.5
[M-H]- 556.15762 237.8
[M+Na-2H]- 578.13957 242.6
[M]+ 557.16435 234.9
[M]- 557.16545 234.9
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.