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 145.7
[M+Na]+ 260.03518 156.2
[M-H]- 236.03868 149.3
[M+NH4]+ 255.07978 166.0
[M+K]+ 276.00912 152.0
[M+H-H2O]+ 220.04322 140.0
[M+HCOO]- 282.04416 161.5
[M+CH3COO]- 296.05981 187.9
[M+Na-2H]- 258.02063 150.8
[M]+ 237.04541 148.2
[M]- 237.04651 148.2
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.