CID 5274047

Schembl27833865

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₃

SMILES

COC1=CC(=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C14H12ClNO3/c1-19-11-5-6-12(13(17)8-11)14(18)16-10-4-2-3-9(15)7-10/h2-8,17H,1H3,(H,16,18)

InChIKey

GGDCOQFDVFKNKC-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 277.05057 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.05785	158.8
[M+Na]+	300.03979	167.6
[M-H]-	276.04329	164.8
[M+NH4]+	295.08439	175.0
[M+K]+	316.01373	162.7
[M+H-H2O]+	260.04783	152.5
[M+HCOO]-	322.04877	178.1
[M+CH3COO]-	336.06442	197.2
[M+Na-2H]-	298.02524	163.0
[M]+	277.05002	161.7
[M]-	277.05112	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe