CID 120224

364-96-5

Structural Information

Molecular Formula

C₈H₆Cl₂N₂O₂S

SMILES

CC1=NS(=O)(=O)C2=CC(=C(C=C2N1)Cl)Cl

InChI

InChI=1S/C8H6Cl2N2O2S/c1-4-11-7-2-5(9)6(10)3-8(7)15(13,14)12-4/h2-3H,1H3,(H,11,12)

InChIKey

NJMWRGDFOPSHPX-UHFFFAOYSA-N

Compound name

6,7-dichloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 263.9527 Da
Monoisotopic Mass: 1.9
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]+	264.959976	143.3
[M+Na]+	286.941918	156.8
[M-H]-	262.945424	144.6
[M+NH4]+	281.986523	162.2
[M+K]+	302.915858	150.4
[M+H-H2O]+	246.949960	139.6
[M+HCOO]-	308.950901	148.6
[M+CH3COO]-	322.966551	156.0
[M+Na-2H]-	284.927366	148.5
[M]+	263.95215142	147.7
[M]-	263.95324858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe