CID 71205348

Schembl14561875

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

CC(=O)NC1=CC(=C(C=C1O)Cl)O

InChI

InChI=1S/C8H8ClNO3/c1-4(11)10-6-3-7(12)5(9)2-8(6)13/h2-3,12-13H,1H3,(H,10,11)

InChIKey

GLJZRZBIGFKLML-UHFFFAOYSA-N

Compound name

N-(4-chloro-2,5-dihydroxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.01927 Da
Monoisotopic Mass: 1.0
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]+	202.026546	137.6
[M+Na]+	224.008488	147.2
[M-H]-	200.011994	139.5
[M+NH4]+	219.053093	156.6
[M+K]+	239.982428	143.3
[M+H-H2O]+	184.016530	133.7
[M+HCOO]-	246.017471	155.9
[M+CH3COO]-	260.033121	181.0
[M+Na-2H]-	221.993936	141.9
[M]+	201.01872142	138.7
[M]-	201.01981858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe