CID 86654

18097-52-4

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O

SMILES

C1=CC=C(C=C1)C(=NO)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C13H11ClN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2

InChIKey

GCAVNCINXJNLED-UHFFFAOYSA-N

Compound name

N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 25
Patents: 246.05598 Da
Monoisotopic Mass: 3.5
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]+	247.06326	153.5
[M+Na]+	269.04520	161.6
[M-H]-	245.04870	160.0
[M+NH4]+	264.08980	170.8
[M+K]+	285.01914	156.1
[M+H-H2O]+	229.05324	146.9
[M+HCOO]-	291.05418	174.5
[M+CH3COO]-	305.06983	195.7
[M+Na-2H]-	267.03065	158.5
[M]+	246.05543	152.9
[M]-	246.05653	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe