CID 53417175

1092349-12-6

Structural Information

Molecular Formula
C11H12O3S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)C(=O)CCC2
InChI
InChI=1S/C11H12O3S/c1-15(13,14)9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3
InChIKey
ZBXWMGFWYFHVOL-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05072 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05800 146.1
[M+Na]+ 247.03994 158.3
[M+NH4]+ 242.08454 154.8
[M+K]+ 263.01388 150.5
[M-H]- 223.04344 147.7
[M+Na-2H]- 245.02539 151.3
[M]+ 224.05017 148.8
[M]- 224.05127 148.8
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.