CID 8713207

N-benzyl-4-chloro-2-hydroxybenzamide

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)Cl)O
InChI
InChI=1S/C14H12ClNO2/c15-11-6-7-12(13(17)8-11)14(18)16-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,18)
InChIKey
KSWHOOJBQKXZLQ-UHFFFAOYSA-N
Compound name
N-benzyl-4-chloro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

261.05566 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 156.1
[M+Na]+ 284.04488 164.2
[M-H]- 260.04838 161.7
[M+NH4]+ 279.08948 172.8
[M+K]+ 300.01882 158.5
[M+H-H2O]+ 244.05292 149.8
[M+HCOO]- 306.05386 175.2
[M+CH3COO]- 320.06951 193.9
[M+Na-2H]- 282.03033 161.0
[M]+ 261.05511 157.2
[M]- 261.05621 157.2
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

No patent data available for this compound.