CID 2755543

28123-63-9

Structural Information

Molecular Formula

C₇H₅Cl₂NO

SMILES

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

InChI

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

InChIKey

JPBNMRDGFBFKLT-UHFFFAOYSA-N

Compound name

4-chloro-N-hydroxybenzenecarboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 188.97482 Da
Monoisotopic Mass: 3.3
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]+	189.98210	133.4
[M+Na]+	211.96404	147.4
[M+NH4]+	207.00864	142.8
[M+K]+	227.93798	140.1
[M-H]-	187.96754	136.0
[M+Na-2H]-	209.94949	141.3
[M]+	188.97427	136.7
[M]-	188.97537	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe