CID 16772871

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

Structural Information

Molecular Formula
C14H10F4N2O
SMILES
C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)N)C(F)(F)F)F
InChI
InChI=1S/C14H10F4N2O/c15-9-3-1-8(2-4-9)13(21)20-10-5-6-12(19)11(7-10)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKey
JCOFLGNEALOEAJ-UHFFFAOYSA-N
Compound name
N-[4-amino-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 162.7
[M+Na]+ 321.06216 171.2
[M-H]- 297.06566 164.3
[M+NH4]+ 316.10676 177.1
[M+K]+ 337.03610 166.0
[M+H-H2O]+ 281.07020 151.8
[M+HCOO]- 343.07114 181.9
[M+CH3COO]- 357.08679 206.9
[M+Na-2H]- 319.04761 165.3
[M]+ 298.07239 155.4
[M]- 298.07349 155.4
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.