CID 208259

31848-18-7

Structural Information

Molecular Formula
C11H11NO3S
SMILES
C=CCN1C(=O)CC2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C11H11NO3S/c1-2-7-12-11(13)8-9-5-3-4-6-10(9)16(12,14)15/h2-6H,1,7-8H2
InChIKey
UQTCYVCSUDXQQN-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-prop-2-enyl-4H-1lambda6,2-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04596 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05324 150.1
[M+Na]+ 260.03518 162.9
[M+NH4]+ 255.07978 159.3
[M+K]+ 276.00912 152.5
[M-H]- 236.03868 151.1
[M+Na-2H]- 258.02063 156.1
[M]+ 237.04541 152.7
[M]- 237.04651 152.7
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.