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

1
Patents

153.00151 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.00879 129.1
[M+Na]+ 175.99073 138.8
[M+NH4]+ 171.03533 137.7
[M+K]+ 191.96467 131.4
[M-H]- 151.99423 129.1
[M+Na-2H]- 173.97618 132.1
[M]+ 153.00096 131.0
[M]- 153.00206 131.0
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