CID 3049924

2-phenylthiazinedione sodium salt

Structural Information

Molecular Formula
C10H7NO2S
SMILES
C1=CC=C(C=C1)C2=NC(=O)C(=CS2)O
InChI
InChI=1S/C10H7NO2S/c12-8-6-14-10(11-9(8)13)7-4-2-1-3-5-7/h1-6,12H
InChIKey
GRXFTIGZBOUKOU-UHFFFAOYSA-N
Compound name
5-hydroxy-2-phenyl-1,3-thiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.01974 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02702 139.8
[M+Na]+ 228.00896 155.2
[M+NH4]+ 223.05356 148.9
[M+K]+ 243.98290 146.2
[M-H]- 204.01246 143.8
[M+Na-2H]- 225.99441 149.3
[M]+ 205.01919 143.7
[M]- 205.02029 143.7
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.