CID 220741

3,4-dichloro-benzaldehyde oxime

Structural Information

Molecular Formula

C₇H₅Cl₂NO

SMILES

C1=CC(=C(C=C1C=NO)Cl)Cl

InChI

InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)3-7(6)9/h1-4,11H

InChIKey

ROBIUDOANJUDHD-UHFFFAOYSA-N

Compound name

N-[(3,4-dichlorophenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 188.97482 Da
Monoisotopic Mass: 3.1
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]+	189.982096	133.3
[M+Na]+	211.964038	144.0
[M-H]-	187.967544	136.8
[M+NH4]+	207.008643	154.4
[M+K]+	227.937978	138.9
[M+H-H2O]+	171.972080	129.7
[M+HCOO]-	233.973021	150.2
[M+CH3COO]-	247.988671	181.5
[M+Na-2H]-	209.949486	140.1
[M]+	188.97427142	136.1
[M]-	188.97536858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe