CID 4252604

(+)-2,3-dihydro-2-methylbenzo(b)thiophene-1,1-dioxide

Structural Information

Molecular Formula
C9H10O2S
SMILES
CC1CC2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C9H10O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-5,7H,6H2,1H3
InChIKey
JYOGGEJXQNWMET-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.04015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04743 133.5
[M+Na]+ 205.02937 144.9
[M-H]- 181.03287 139.2
[M+NH4]+ 200.07397 159.5
[M+K]+ 221.00331 141.9
[M+H-H2O]+ 165.03741 129.8
[M+HCOO]- 227.03835 153.0
[M+CH3COO]- 241.05400 177.2
[M+Na-2H]- 203.01482 138.5
[M]+ 182.03960 136.8
[M]- 182.04070 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe