CID 67756

359-85-3

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
C1=CC=C2C(=C1)NC=NS2(=O)=O
InChI
InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)
InChIKey
BBNGVMNBBLPZIR-UHFFFAOYSA-N
Compound name
4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

355
Patents

182.015 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02228 131.7
[M+Na]+ 205.00422 142.6
[M-H]- 181.00772 132.9
[M+NH4]+ 200.04882 151.9
[M+K]+ 220.97816 138.6
[M+H-H2O]+ 165.01226 125.8
[M+HCOO]- 227.01320 147.0
[M+CH3COO]- 241.02885 145.0
[M+Na-2H]- 202.98967 140.3
[M]+ 182.01445 132.0
[M]- 182.01555 132.0
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