CID 119090287

37653-37-5

Structural Information

Molecular Formula

C₅H₅ClN₂OS

SMILES

CN(C1=NC=CS1)C(=O)Cl

InChI

InChI=1S/C5H5ClN2OS/c1-8(4(6)9)5-7-2-3-10-5/h2-3H,1H3

InChIKey

LUHFOHFNXJZUGY-UHFFFAOYSA-N

Compound name

N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.98111 Da
Monoisotopic Mass: 1.7
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]+	176.98839	132.9
[M+Na]+	198.97033	142.3
[M-H]-	174.97383	137.4
[M+NH4]+	194.01493	155.3
[M+K]+	214.94427	140.5
[M+H-H2O]+	158.97837	127.4
[M+HCOO]-	220.97931	149.1
[M+CH3COO]-	234.99496	179.3
[M+Na-2H]-	196.95578	135.3
[M]+	175.98056	137.1
[M]-	175.98166	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe