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

648
Patents

183.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 133.0
[M+Na]+ 206.02462 142.4
[M-H]- 182.02812 135.1
[M+NH4]+ 201.06922 154.5
[M+K]+ 221.99856 138.6
[M+H-H2O]+ 166.03266 127.8
[M+HCOO]- 228.03360 147.9
[M+CH3COO]- 242.04925 146.0
[M+Na-2H]- 204.01007 140.2
[M]+ 183.03485 131.9
[M]- 183.03595 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