CID 12730654

3,4-dihydro-2h-1,4-benzothiazine-1,1-dione

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CS(=O)(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C8H9NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-4,9H,5-6H2
InChIKey
WYUFHUYMJXPXAO-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

673
Patents

183.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 133.0
[M+Na]+ 206.024618 142.4
[M-H]- 182.028124 135.1
[M+NH4]+ 201.069223 154.5
[M+K]+ 221.998558 138.6
[M+H-H2O]+ 166.032660 127.8
[M+HCOO]- 228.033601 147.9
[M+CH3COO]- 242.049251 146.0
[M+Na-2H]- 204.010066 140.2
[M]+ 183.03485142 131.9
[M]- 183.03594858 131.9
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

patents stripe