CID 95258

26488-93-7

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

CC(=O)NC1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C8H8ClNO2/c1-5(11)10-7-4-6(9)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)

InChIKey

HGDAFIJKXCFHPG-UHFFFAOYSA-N

Compound name

N-(5-chloro-2-hydroxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 134
Patents: 185.02435 Da
Monoisotopic Mass: 1.2
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]+	186.03163	134.8
[M+Na]+	208.01357	144.1
[M-H]-	184.01707	137.8
[M+NH4]+	203.05817	155.0
[M+K]+	223.98751	140.4
[M+H-H2O]+	168.02161	130.6
[M+HCOO]-	230.02255	154.4
[M+CH3COO]-	244.03820	180.0
[M+Na-2H]-	205.99902	140.2
[M]+	185.02380	136.0
[M]-	185.02490	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe