CID 16771993

N-[4-amino-3-(trifluoromethyl)phenyl]-2-fluorobenzamide

Structural Information

Molecular Formula
C14H10F4N2O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)N)C(F)(F)F)F
InChI
InChI=1S/C14H10F4N2O/c15-11-4-2-1-3-9(11)13(21)20-8-5-6-12(19)10(7-8)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKey
MDAIYWARQVPUHU-UHFFFAOYSA-N
Compound name
N-[4-amino-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

298.07294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08022 166.1
[M+Na]+ 321.06216 173.9
[M+NH4]+ 316.10676 170.1
[M+K]+ 337.03610 168.9
[M-H]- 297.06566 164.2
[M+Na-2H]- 319.04761 170.6
[M]+ 298.07239 166.2
[M]- 298.07349 166.2
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

patents stripe