CID 15637813

83732-69-8

Structural Information

Molecular Formula
C15H14O3S
SMILES
C1C(CC2=CC=CC=C21)OS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14O3S/c16-19(17,15-8-2-1-3-9-15)18-14-10-12-6-4-5-7-13(12)11-14/h1-9,14H,10-11H2
InChIKey
FDWHEOIFRUVCQG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-2-yl benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

274.06638 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.073656 161.1
[M+Na]+ 297.055598 169.8
[M-H]- 273.059104 169.1
[M+NH4]+ 292.100203 180.5
[M+K]+ 313.029538 165.8
[M+H-H2O]+ 257.063640 155.2
[M+HCOO]- 319.064581 179.0
[M+CH3COO]- 333.080231 192.7
[M+Na-2H]- 295.041046 165.6
[M]+ 274.06583142 164.1
[M]- 274.06692858 164.1
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