CID 2136108

Bis(2-chlorophenyl) 9h-fluorene-2,7-disulfonate

Structural Information

Molecular Formula
C25H16Cl2O6S2
SMILES
C1C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3Cl)C4=C1C=C(C=C4)S(=O)(=O)OC5=CC=CC=C5Cl
InChI
InChI=1S/C25H16Cl2O6S2/c26-22-5-1-3-7-24(22)32-34(28,29)18-9-11-20-16(14-18)13-17-15-19(10-12-21(17)20)35(30,31)33-25-8-4-2-6-23(25)27/h1-12,14-15H,13H2
InChIKey
DFRZQJSQKJCASV-UHFFFAOYSA-N
Compound name
bis(2-chlorophenyl) 9H-fluorene-2,7-disulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.97656 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.98384 222.8
[M+Na]+ 568.96578 239.1
[M+NH4]+ 564.01038 230.6
[M+K]+ 584.93972 228.0
[M-H]- 544.96928 228.0
[M+Na-2H]- 566.95123 231.3
[M]+ 545.97601 228.5
[M]- 545.97711 228.5
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.