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

4997
Patents

122.99095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.99823 119.7
[M+Na]+ 145.98017 128.2
[M-H]- 121.98367 122.3
[M+NH4]+ 141.02477 143.8
[M+K]+ 161.95411 126.9
[M+H-H2O]+ 105.98821 116.2
[M+HCOO]- 167.98915 134.9
[M+CH3COO]- 182.00480 173.5
[M+Na-2H]- 143.96562 122.7
[M]+ 122.99040 122.6
[M]- 122.99150 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.