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 144.6
[M+Na]+ 248.01186 152.4
[M-H]- 224.01536 148.5
[M+NH4]+ 243.05646 167.4
[M+K]+ 263.98580 149.5
[M+H-H2O]+ 208.01990 141.6
[M+HCOO]- 270.02084 157.8
[M+CH3COO]- 284.03649 183.9
[M+Na-2H]- 245.99731 145.2
[M]+ 225.02209 146.6
[M]- 225.02319 146.6
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.