CID 16445098

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide

Structural Information

Molecular Formula
C14H9ClF3NO2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)O
InChI
InChI=1S/C14H9ClF3NO2/c15-11-6-5-8(7-10(11)14(16,17)18)19-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,19,21)
InChIKey
MXSJAPIEXXAEKO-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

315.0274 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.034676 163.6
[M+Na]+ 338.016618 173.2
[M-H]- 314.020124 165.7
[M+NH4]+ 333.061223 178.3
[M+K]+ 353.990558 166.8
[M+H-H2O]+ 298.024660 155.1
[M+HCOO]- 360.025601 177.9
[M+CH3COO]- 374.041251 202.9
[M+Na-2H]- 336.002066 166.9
[M]+ 315.02685142 161.3
[M]- 315.02794858 161.3
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