CID 12477034

26479-40-3

Structural Information

Molecular Formula
C3H3NO3S
SMILES
C1=CS(=O)(=O)NC1=O
InChI
InChI=1S/C3H3NO3S/c5-3-1-2-8(6,7)4-3/h1-2H,(H,4,5)
InChIKey
JJIBEXZGSXIQBV-UHFFFAOYSA-N
Compound name
1,1-dioxo-1,2-thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

132.98337 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.99065 119.1
[M+Na]+ 155.97259 130.2
[M-H]- 131.97609 121.2
[M+NH4]+ 151.01719 143.4
[M+K]+ 171.94653 128.3
[M+H-H2O]+ 115.98063 115.3
[M+HCOO]- 177.98157 138.1
[M+CH3COO]- 191.99722 161.8
[M+Na-2H]- 153.95804 123.9
[M]+ 132.98282 120.1
[M]- 132.98392 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe