CID 6412958

Dtxsid70430638

Structural Information

Molecular Formula

C₈H₅Cl₂NO₂

SMILES

C1=CC(=CC=C1C(=O)/C(=N\O)/Cl)Cl

InChI

InChI=1S/C8H5Cl2NO2/c9-6-3-1-5(2-4-6)7(12)8(10)11-13/h1-4,13H/b11-8+

InChIKey

KPMRXNMLJSQAQE-DHZHZOJOSA-N

Compound name

(1E)-2-(4-chlorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 216.96973 Da
Monoisotopic Mass: 3.7
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]+	217.97701	139.3
[M+Na]+	239.95895	148.4
[M-H]-	215.96245	142.7
[M+NH4]+	235.00355	158.8
[M+K]+	255.93289	143.9
[M+H-H2O]+	199.96699	135.5
[M+HCOO]-	261.96793	154.5
[M+CH3COO]-	275.98358	186.1
[M+Na-2H]-	237.94440	144.0
[M]+	216.96918	141.8
[M]-	216.97028	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe