CID 3104083

Bis(4-methoxyphenyl) 9h-fluorene-2,7-disulfonate

Structural Information

Molecular Formula
C27H22O8S2
SMILES
COC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)OC5=CC=C(C=C5)OC
InChI
InChI=1S/C27H22O8S2/c1-32-20-3-7-22(8-4-20)34-36(28,29)24-11-13-26-18(16-24)15-19-17-25(12-14-27(19)26)37(30,31)35-23-9-5-21(33-2)6-10-23/h3-14,16-17H,15H2,1-2H3
InChIKey
PMUCYMXYMHXYFD-UHFFFAOYSA-N
Compound name
bis(4-methoxyphenyl) 9H-fluorene-2,7-disulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.0756 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.08288 221.1
[M+Na]+ 561.06482 234.6
[M+NH4]+ 556.10942 227.1
[M+K]+ 577.03876 226.2
[M-H]- 537.06832 225.4
[M+Na-2H]- 559.05027 229.0
[M]+ 538.07505 225.4
[M]- 538.07615 225.4
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.