CID 198690

107089-76-9

Structural Information

Molecular Formula

C₈H₇ClN₂O₂S

SMILES

CN1C2=CC=CC=C2S(=O)(=O)N=C1Cl

InChI

InChI=1S/C8H7ClN2O2S/c1-11-6-4-2-3-5-7(6)14(12,13)10-8(11)9/h2-5H,1H3

InChIKey

RCISZGZSERFAFZ-UHFFFAOYSA-N

Compound name

3-chloro-4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 229.99167 Da
Monoisotopic Mass: 1.6
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]+	230.99895	139.2
[M+Na]+	252.98089	152.3
[M-H]-	228.98439	142.2
[M+NH4]+	248.02549	159.6
[M+K]+	268.95483	147.6
[M+H-H2O]+	212.98893	134.1
[M+HCOO]-	274.98987	151.0
[M+CH3COO]-	289.00552	153.0
[M+Na-2H]-	250.96634	146.1
[M]+	229.99112	144.2
[M]-	229.99222	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe