CID 20504786

O-4-chlorobenzoylhydroxylamine

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

C1=CC(=CC=C1C(=O)ON)Cl

InChI

InChI=1S/C7H6ClNO2/c8-6-3-1-5(2-4-6)7(10)11-9/h1-4H,9H2

InChIKey

KZZSHJUUEFFXJQ-UHFFFAOYSA-N

Compound name

amino 4-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 171.00871 Da
Monoisotopic Mass: 2.0
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]+	172.015986	130.6
[M+Na]+	193.997928	139.8
[M-H]-	170.001434	134.2
[M+NH4]+	189.042533	151.4
[M+K]+	209.971868	136.8
[M+H-H2O]+	154.005970	126.0
[M+HCOO]-	216.006911	151.4
[M+CH3COO]-	230.022561	177.7
[M+Na-2H]-	191.983376	136.7
[M]+	171.00816142	131.9
[M]-	171.00925858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe