CID 28571

S-(3-chloropropyl) carbamothioate

Structural Information

Molecular Formula
C4H8ClNOS
SMILES
C(CSC(=O)N)CCl
InChI
InChI=1S/C4H8ClNOS/c5-2-1-3-8-4(6)7/h1-3H2,(H2,6,7)
InChIKey
YUZPIPRFWMDPBQ-UHFFFAOYSA-N
Compound name
S-(3-chloropropyl) carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.00151 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.008786 128.1
[M+Na]+ 175.990728 135.9
[M-H]- 151.994234 128.3
[M+NH4]+ 171.035333 150.0
[M+K]+ 191.964668 132.9
[M+H-H2O]+ 135.998770 124.4
[M+HCOO]- 197.999711 142.2
[M+CH3COO]- 212.015361 174.2
[M+Na-2H]- 173.976176 130.2
[M]+ 153.00096142 130.4
[M]- 153.00205858 130.4
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

patents stripe