CID 11446778

91114-97-5

Structural Information

Molecular Formula
C6H5NO4S
SMILES
CC(=O)C1=C(SC(=O)NC1=O)O
InChI
InChI=1S/C6H5NO4S/c1-2(8)3-4(9)7-6(11)12-5(3)10/h10H,1H3,(H,7,9,11)
InChIKey
QXSJHXWCIHEKPX-UHFFFAOYSA-N
Compound name
5-acetyl-6-hydroxy-1,3-thiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

186.99393 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.001206 131.6
[M+Na]+ 209.983148 142.3
[M-H]- 185.986654 132.6
[M+NH4]+ 205.027753 149.5
[M+K]+ 225.957088 138.8
[M+H-H2O]+ 169.991190 126.4
[M+HCOO]- 231.992131 147.9
[M+CH3COO]- 246.007781 173.9
[M+Na-2H]- 207.968596 134.0
[M]+ 186.99338142 133.5
[M]- 186.99447858 133.5
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