CID 12330800

2-methylbenzo[b]thiophen-3(2h)-one 1,1-dioxide

Structural Information

Molecular Formula
C9H8O3S
SMILES
CC1C(=O)C2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C9H8O3S/c1-6-9(10)7-4-2-3-5-8(7)13(6,11)12/h2-6H,1H3
InChIKey
MQLDRFDZRIIXAS-UHFFFAOYSA-N
Compound name
2-methyl-1,1-dioxo-1-benzothiophen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

196.01941 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02669 139.0
[M+Na]+ 219.00863 151.2
[M+NH4]+ 214.05323 149.3
[M+K]+ 234.98257 143.1
[M-H]- 195.01213 140.4
[M+Na-2H]- 216.99408 144.8
[M]+ 196.01886 141.7
[M]- 196.01996 141.7
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

patents stripe