CID 16772080

N-[4-amino-3-(trifluoromethyl)phenyl]benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

280.08234 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08962 161.5
[M+Na]+ 303.07156 170.5
[M+NH4]+ 298.11616 166.7
[M+K]+ 319.04550 165.1
[M-H]- 279.07506 161.2
[M+Na-2H]- 301.05701 167.5
[M]+ 280.08179 162.3
[M]- 280.08289 162.3
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