CID 468122

O-(2-chlorobenzyl)hydroxylamine

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)CON)Cl

InChI

InChI=1S/C7H8ClNO/c8-7-4-2-1-3-6(7)5-10-9/h1-4H,5,9H2

InChIKey

WJWMBNQCKBRAHA-UHFFFAOYSA-N

Compound name

O-[(2-chlorophenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 157.02943 Da
Monoisotopic Mass: 1.5
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]+	158.03671	128.4
[M+Na]+	180.01865	137.5
[M-H]-	156.02215	131.8
[M+NH4]+	175.06325	149.9
[M+K]+	195.99259	134.2
[M+H-H2O]+	140.02669	123.8
[M+HCOO]-	202.02763	149.7
[M+CH3COO]-	216.04328	176.4
[M+Na-2H]-	178.00410	135.8
[M]+	157.02888	129.6
[M]-	157.02998	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.