CID 16226970

879361-50-9

Structural Information

Molecular Formula
C7H12ClNO3S
SMILES
CC(C(=O)NC1CCS(=O)(=O)C1)Cl
InChI
InChI=1S/C7H12ClNO3S/c1-5(8)7(10)9-6-2-3-13(11,12)4-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
BOQBZSCQKJUSAE-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxothiolan-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02264 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02992 146.3
[M+Na]+ 248.01186 154.0
[M+NH4]+ 243.05646 154.9
[M+K]+ 263.98580 148.0
[M-H]- 224.01536 146.0
[M+Na-2H]- 245.99731 149.8
[M]+ 225.02209 147.7
[M]- 225.02319 147.7
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.