CID 27871

Dimethylthiocarbamoyl chloride

Structural Information

Molecular Formula
C3H6ClNS
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
4
Annotation Hits

3
References

5011
Patents

122.99095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.998226 119.7
[M+Na]+ 145.980168 128.2
[M-H]- 121.983674 122.3
[M+NH4]+ 141.024773 143.8
[M+K]+ 161.954108 126.9
[M+H-H2O]+ 105.988210 116.2
[M+HCOO]- 167.989151 134.9
[M+CH3COO]- 182.004801 173.5
[M+Na-2H]- 143.965616 122.7
[M]+ 122.99040142 122.6
[M]- 122.99149858 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe