CID 362105

4-(phenylsulfonyl)spiro(cyclopentane-1,9'-(9h)fluorene)-2,3-dione

Structural Information

Molecular Formula
C23H16O4S
SMILES
C1C(C(=O)C(=O)C12C3=CC=CC=C3C4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C23H16O4S/c24-21-20(28(26,27)15-8-2-1-3-9-15)14-23(22(21)25)18-12-6-4-10-16(18)17-11-5-7-13-19(17)23/h1-13,20H,14H2
InChIKey
JCRIPFDYTMDRHF-UHFFFAOYSA-N
Compound name
5-(benzenesulfonyl)spiro[cyclopentane-3,9'-fluorene]-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.07693 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08421 194.5
[M+Na]+ 411.06615 205.7
[M-H]- 387.06965 206.3
[M+NH4]+ 406.11075 214.4
[M+K]+ 427.04009 199.4
[M+H-H2O]+ 371.07419 188.9
[M+HCOO]- 433.07513 210.5
[M+CH3COO]- 447.09078 206.2
[M+Na-2H]- 409.05160 196.7
[M]+ 388.07638 198.5
[M]- 388.07748 198.5
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

No patent data available for this compound.