CID 27871

Dimethylthiocarbamoyl chloride

Structural Information

Molecular Formula

SMILES

CN(C)C(=S)Cl

InChI

InChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3

InChIKey

PHWISQNXPLXQRU-UHFFFAOYSA-N

Compound name

N,N-dimethylcarbamothioyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 4230
Patents: 122.99095 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]+	123.99823	122.4
[M+Na]+	145.98017	133.2
[M+NH4]+	141.02477	132.1
[M+K]+	161.95411	125.8
[M-H]-	121.98367	123.5
[M+Na-2H]-	143.96562	126.8
[M]+	122.99040	124.9
[M]-	122.99150	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe