CID 208254

Brn 0650254

Structural Information

Molecular Formula
C11H11NO3S
SMILES
C=CCN1C(=O)C2=CC=CC=C2CS1(=O)=O
InChI
InChI=1S/C11H11NO3S/c1-2-7-12-11(13)10-6-4-3-5-9(10)8-16(12,14)15/h2-6H,1,7-8H2
InChIKey
UVRZZNNYGUAYNU-UHFFFAOYSA-N
Compound name
2,2-dioxo-3-prop-2-enyl-1H-2lambda6,3-benzothiazin-4-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]+ 238.053236 145.7
[M+Na]+ 260.035178 156.2
[M-H]- 236.038684 149.3
[M+NH4]+ 255.079783 166.0
[M+K]+ 276.009118 152.0
[M+H-H2O]+ 220.043220 140.0
[M+HCOO]- 282.044161 161.5
[M+CH3COO]- 296.059811 187.9
[M+Na-2H]- 258.020626 150.8
[M]+ 237.04541142 148.2
[M]- 237.04650858 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.