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]+ 226.053236 145.1
[M+Na]+ 248.035178 153.4
[M-H]- 224.038684 149.2
[M+NH4]+ 243.079783 163.5
[M+K]+ 264.009118 149.3
[M+H-H2O]+ 208.043220 138.9
[M+HCOO]- 270.044161 159.8
[M+CH3COO]- 284.059811 180.6
[M+Na-2H]- 246.020626 148.9
[M]+ 225.04541142 142.8
[M]- 225.04650858 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.