CID 12748060

N-(chloromethyl)-n-methylcarbamoyl chloride

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	122.4
[M+Na]+	163.96404	131.4
[M-H]-	139.96754	124.0
[M+NH4]+	159.00864	145.6
[M+K]+	179.93798	129.6
[M+H-H2O]+	123.97208	119.9
[M+HCOO]-	185.97302	138.6
[M+CH3COO]-	199.98867	176.5
[M+Na-2H]-	161.94949	128.2
[M]+	140.97427	125.7
[M]-	140.97537	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe