CID 24846661

Brn 0178868

Structural Information

Molecular Formula
C10H11NO3S
SMILES
C1CS(=O)(=O)C(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO3S/c12-9-6-7-15(13,14)10(11-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKey
KSZMKNONPGTRCX-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-phenyl-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04596 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05324 145.1
[M+Na]+ 248.03518 153.4
[M-H]- 224.03868 149.2
[M+NH4]+ 243.07978 163.5
[M+K]+ 264.00912 149.3
[M+H-H2O]+ 208.04322 138.9
[M+HCOO]- 270.04416 159.8
[M+CH3COO]- 284.05981 180.6
[M+Na-2H]- 246.02063 148.9
[M]+ 225.04541 142.8
[M]- 225.04651 142.8
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.