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 225.3
[M+Na]+ 568.96578 236.4
[M-H]- 544.96928 237.1
[M+NH4]+ 564.01038 236.2
[M+K]+ 584.93972 230.3
[M+H-H2O]+ 528.97382 220.0
[M+HCOO]- 590.97476 227.4
[M+CH3COO]- 604.99041 234.0
[M+Na-2H]- 566.95123 229.7
[M]+ 545.97601 237.8
[M]- 545.97711 237.8
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.