CID 12203335

3192-06-1

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CS(=O)(=O)NC2=CC=CC=C21
InChI
InChI=1S/C8H9NO2S/c10-12(11)6-5-7-3-1-2-4-8(7)9-12/h1-4,9H,5-6H2
InChIKey
SFUUSVZJOLXBIB-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-2lambda6,1-benzothiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
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

literature stripe

Patent stripe

patents stripe