CID 204498

Brn 0989039

Structural Information

Molecular Formula
C12H9NO3S
SMILES
CC(=O)OC1=CC(=O)SC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H9NO3S/c1-8(14)16-10-7-11(15)17-12(13-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
RNIPSUXBPXAJQM-UHFFFAOYSA-N
Compound name
(6-oxo-2-phenyl-1,3-thiazin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.03032 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.037596 150.5
[M+Na]+ 270.019538 160.2
[M-H]- 246.023044 156.8
[M+NH4]+ 265.064143 167.0
[M+K]+ 285.993478 156.6
[M+H-H2O]+ 230.027580 142.9
[M+HCOO]- 292.028521 169.2
[M+CH3COO]- 306.044171 189.4
[M+Na-2H]- 268.004986 154.2
[M]+ 247.02977142 154.6
[M]- 247.03086858 154.6
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.