CID 1517275

2-amino-n-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C14H11F3N2O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C14H11F3N2O/c15-14(16,17)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)18/h1-8H,18H2,(H,19,20)
InChIKey
OAEMTEMEJOQHES-UHFFFAOYSA-N
Compound name
2-amino-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

280.08234 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08962 159.5
[M+Na]+ 303.07156 167.0
[M-H]- 279.07506 162.1
[M+NH4]+ 298.11616 174.4
[M+K]+ 319.04550 162.2
[M+H-H2O]+ 263.07960 149.5
[M+HCOO]- 325.08054 179.9
[M+CH3COO]- 339.09619 202.9
[M+Na-2H]- 301.05701 163.4
[M]+ 280.08179 153.0
[M]- 280.08289 153.0
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