CID 10878212

N-[(z)-chloro(phenyl)methylidene]carbamoyl chloride

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: 0
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]+	201.982096	137.3
[M+Na]+	223.964038	146.1
[M-H]-	199.967544	141.7
[M+NH4]+	219.008643	157.9
[M+K]+	239.937978	141.9
[M+H-H2O]+	183.972080	133.0
[M+HCOO]-	245.973021	153.7
[M+CH3COO]-	259.988671	184.9
[M+Na-2H]-	221.949486	143.1
[M]+	200.97427142	139.8
[M]-	200.97536858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe