CID 2755543

4-chloro-n-hydroxybenzene-1-carbonimidoyl chloride

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: 160
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	143.0
[M-H]-	187.96754	136.8
[M+NH4]+	207.00864	154.2
[M+K]+	227.93798	138.3
[M+H-H2O]+	171.97208	129.8
[M+HCOO]-	233.97302	149.4
[M+CH3COO]-	247.98867	181.2
[M+Na-2H]-	209.94949	139.8
[M]+	188.97427	135.3
[M]-	188.97537	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe