CID 11615432

13338-02-8

Structural Information

Molecular Formula

C₈H₈N₂O₃S

SMILES

CN1C2=CC=CC=C2S(=O)(=O)NC1=O

InChI

InChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11)

InChIKey

RQCMUVKZNMGOOY-UHFFFAOYSA-N

Compound name

4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 212.02556 Da
Monoisotopic Mass: 0.3
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]+	213.032836	139.1
[M+Na]+	235.014778	150.3
[M-H]-	211.018284	140.3
[M+NH4]+	230.059383	158.4
[M+K]+	250.988718	146.3
[M+H-H2O]+	195.022820	133.5
[M+HCOO]-	257.023761	152.9
[M+CH3COO]-	271.039411	180.0
[M+Na-2H]-	233.000226	145.1
[M]+	212.02501142	139.9
[M]-	212.02610858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe