CID 21956018

N-(2-chloroethyl)-n-methylcarbamoyl chloride

Structural Information

Molecular Formula

C₄H₇Cl₂NO

SMILES

CN(CCCl)C(=O)Cl

InChI

InChI=1S/C4H7Cl2NO/c1-7(3-2-5)4(6)8/h2-3H2,1H3

InChIKey

IIQVQCNTYAISRM-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.99046 Da
Monoisotopic Mass: 1.4
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]+	155.99774	127.2
[M+Na]+	177.97968	135.8
[M-H]-	153.98318	128.6
[M+NH4]+	173.02428	149.8
[M+K]+	193.95362	133.7
[M+H-H2O]+	137.98772	124.4
[M+HCOO]-	199.98866	143.0
[M+CH3COO]-	214.00431	179.5
[M+Na-2H]-	175.96513	132.3
[M]+	154.98991	130.8
[M]-	154.99101	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe