CID 12748060

50778-91-1

Structural Information

Molecular Formula

C₃H₅Cl₂NO

SMILES

CN(CCl)C(=O)Cl

InChI

InChI=1S/C3H5Cl2NO/c1-6(2-4)3(5)7/h2H2,1H3

InChIKey

FSBLIZXPIXHWML-UHFFFAOYSA-N

Compound name

N-(chloromethyl)-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.97482 Da
Monoisotopic Mass: 1.5
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]+	141.98210	121.9
[M+Na]+	163.96404	133.5
[M+NH4]+	159.00864	130.8
[M+K]+	179.93798	128.0
[M-H]-	139.96754	122.1
[M+Na-2H]-	161.94949	127.0
[M]+	140.97427	124.0
[M]-	140.97537	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe