CID 611316

Bentazon methyl

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CC(C)N1C(=O)C2=CC=CC=C2N(S1(=O)=O)C
InChI
InChI=1S/C11H14N2O3S/c1-8(2)13-11(14)9-6-4-5-7-10(9)12(3)17(13,15)16/h4-8H,1-3H3
InChIKey
XFTQFXBQDVWOCY-UHFFFAOYSA-N
Compound name
1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

17
Patents

254.07251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 150.4
[M+Na]+ 277.06173 161.1
[M-H]- 253.06523 152.8
[M+NH4]+ 272.10633 168.8
[M+K]+ 293.03567 157.9
[M+H-H2O]+ 237.06977 144.4
[M+HCOO]- 299.07071 163.5
[M+CH3COO]- 313.08636 193.6
[M+Na-2H]- 275.04718 153.8
[M]+ 254.07196 153.9
[M]- 254.07306 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.