CID 16228937

2-oxo-2,3-dihydro-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C3H2ClNO3S2
SMILES
C1=C(SC(=O)N1)S(=O)(=O)Cl
InChI
InChI=1S/C3H2ClNO3S2/c4-10(7,8)2-1-5-3(6)9-2/h1H,(H,5,6)
InChIKey
AGRGYLBPATUIHX-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

198.91646 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.92374 135.0
[M+Na]+ 221.90568 147.0
[M-H]- 197.90918 137.4
[M+NH4]+ 216.95028 155.7
[M+K]+ 237.87962 141.9
[M+H-H2O]+ 181.91372 131.6
[M+HCOO]- 243.91466 143.6
[M+CH3COO]- 257.93031 171.3
[M+Na-2H]- 219.89113 137.0
[M]+ 198.91591 138.7
[M]- 198.91701 138.7
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

patents stripe