CID 2328

Bentazone

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃S

SMILES

CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O

InChI

InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3

InChIKey

ZOMSMJKLGFBRBS-UHFFFAOYSA-N

Compound name

2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 222
References: 33634
Patents: 240.05687 Da
Monoisotopic Mass: 2.8
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]+	241.06415	150.7
[M+Na]+	263.04609	162.6
[M+NH4]+	258.09069	159.0
[M+K]+	279.02003	153.8
[M-H]-	239.04959	150.5
[M+Na-2H]-	261.03154	155.6
[M]+	240.05632	152.7
[M]-	240.05742	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe