CID 3647459

5'-chloro-2'-hydroxy-p-acetotoluidide

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CC1=CC(=C(C=C1Cl)NC(=O)C)O

InChI

InChI=1S/C9H10ClNO2/c1-5-3-9(13)8(4-7(5)10)11-6(2)12/h3-4,13H,1-2H3,(H,11,12)

InChIKey

NOTGPOHVOYWBLO-UHFFFAOYSA-N

Compound name

N-(5-chloro-2-hydroxy-4-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 199.04001 Da
Monoisotopic Mass: 1.7
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]+	200.04729	139.0
[M+Na]+	222.02923	148.8
[M-H]-	198.03273	142.2
[M+NH4]+	217.07383	158.9
[M+K]+	238.00317	144.9
[M+H-H2O]+	182.03727	134.9
[M+HCOO]-	244.03821	158.3
[M+CH3COO]-	258.05386	184.3
[M+Na-2H]-	220.01468	143.2
[M]+	199.03946	141.0
[M]-	199.04056	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe