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 138.9
[M+Na]+ 228.00896 149.3
[M-H]- 204.01246 144.1
[M+NH4]+ 223.05356 156.7
[M+K]+ 243.98290 144.7
[M+H-H2O]+ 188.01700 132.2
[M+HCOO]- 250.01794 157.4
[M+CH3COO]- 264.03359 152.5
[M+Na-2H]- 225.99441 144.2
[M]+ 205.01919 140.4
[M]- 205.02029 140.4
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.