CID 10878212

4547-71-1

Structural Information

Molecular Formula

C₈H₅Cl₂NO

SMILES

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

InChI

InChI=1S/C8H5Cl2NO/c9-7(11-8(10)12)6-4-2-1-3-5-6/h1-5H/b11-7-

InChIKey

QEZOGZKXUFZFEW-XFFZJAGNSA-N

Compound name

(Z)-N-carbonochloridoylbenzenecarboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 200.97482 Da
Monoisotopic Mass: 3.6
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]+	201.98210	137.4
[M+Na]+	223.96404	151.1
[M+NH4]+	219.00864	146.6
[M+K]+	239.93798	143.8
[M-H]-	199.96754	140.0
[M+Na-2H]-	221.94949	145.4
[M]+	200.97427	140.6
[M]-	200.97537	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe