CID 3027729

60405-59-6

Structural Information

Molecular Formula

C₁₃H₁₀ClNO₃

SMILES

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

InChI

InChI=1S/C13H10ClNO3/c14-9-5-3-6-10(12(9)17)15-13(18)8-4-1-2-7-11(8)16/h1-7,16-17H,(H,15,18)

InChIKey

DXLBSDKMRHFNTR-UHFFFAOYSA-N

Compound name

N-(3-chloro-2-hydroxyphenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.0349 Da
Monoisotopic Mass: 3.5
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]+	264.042176	154.4
[M+Na]+	286.024118	163.2
[M-H]-	262.027624	159.2
[M+NH4]+	281.068723	170.4
[M+K]+	301.998058	157.7
[M+H-H2O]+	246.032160	148.6
[M+HCOO]-	308.033101	172.5
[M+CH3COO]-	322.048751	191.9
[M+Na-2H]-	284.009566	158.7
[M]+	263.03435142	155.1
[M]-	263.03544858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe