CID 54079912

55239-76-4

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

CN(C1=CC=CC=C1Cl)C(=O)Cl

InChI

InChI=1S/C8H7Cl2NO/c1-11(8(10)12)7-5-3-2-4-6(7)9/h2-5H,1H3

InChIKey

MMJBYKNTKQJCPY-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.99046 Da
Monoisotopic Mass: 3.0
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]+	203.997736	137.4
[M+Na]+	225.979678	146.7
[M-H]-	201.983184	142.1
[M+NH4]+	221.024283	158.3
[M+K]+	241.953618	143.2
[M+H-H2O]+	185.987720	133.4
[M+HCOO]-	247.988661	153.6
[M+CH3COO]-	262.004311	187.6
[M+Na-2H]-	223.965126	142.6
[M]+	202.98991142	141.1
[M]-	202.99100858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe