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 128.1
[M+Na]+ 175.99073 135.9
[M-H]- 151.99423 128.3
[M+NH4]+ 171.03533 150.0
[M+K]+ 191.96467 132.9
[M+H-H2O]+ 135.99877 124.4
[M+HCOO]- 197.99971 142.2
[M+CH3COO]- 212.01536 174.2
[M+Na-2H]- 173.97618 130.2
[M]+ 153.00096 130.4
[M]- 153.00206 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