CID 198691

107089-77-0

Structural Information

Molecular Formula

C₉H₉ClN₂O₂S

SMILES

CCN1C2=CC=CC=C2S(=O)(=O)N=C1Cl

InChI

InChI=1S/C9H9ClN2O2S/c1-2-12-7-5-3-4-6-8(7)15(13,14)11-9(12)10/h3-6H,2H2,1H3

InChIKey

SIWVDIITQBPZGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 244.00732 Da
Monoisotopic Mass: 2.0
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]+	245.01460	147.8
[M+Na]+	266.99654	163.0
[M+NH4]+	262.04114	157.9
[M+K]+	282.97048	151.9
[M-H]-	243.00004	149.4
[M+Na-2H]-	264.98199	155.4
[M]+	244.00677	151.4
[M]-	244.00787	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe