CID 7548

N-phenyl-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C13H10F3N
SMILES
C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H
InChIKey
WJCRAVDPIMWFPG-UHFFFAOYSA-N
Compound name
N-phenyl-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

237.07654 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08382 152.9
[M+Na]+ 260.06576 164.0
[M+NH4]+ 255.11036 159.9
[M+K]+ 276.03970 156.9
[M-H]- 236.06926 153.6
[M+Na-2H]- 258.05121 161.0
[M]+ 237.07599 154.6
[M]- 237.07709 154.6
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