CID 3294423

21639-39-4

Structural Information

Molecular Formula

C₇H₆N₂O₂S

SMILES

C1=CC=C2C(=C1)C=NNS2(=O)=O

InChI

InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)5-8-9-12/h1-5,9H

InChIKey

UOCUSOBVEHOMMB-UHFFFAOYSA-N

Compound name

2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 237
Patents: 182.015 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe