CID 120220

359-84-2

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1NC2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C7H8N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-4,8-9H,5H2
InChIKey
OKXYPUDKVYVJDI-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

184.03065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 133.6
[M+Na]+ 207.01987 143.1
[M-H]- 183.02337 132.9
[M+NH4]+ 202.06447 153.0
[M+K]+ 222.99381 138.4
[M+H-H2O]+ 167.02791 128.1
[M+HCOO]- 229.02885 146.0
[M+CH3COO]- 243.04450 145.6
[M+Na-2H]- 205.00532 140.9
[M]+ 184.03010 130.8
[M]- 184.03120 130.8
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