CID 3104082

Bis(3-methoxyphenyl) 9h-fluorene-2,7-disulfonate

Structural Information

Molecular Formula
C27H22O8S2
SMILES
COC1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)OC5=CC=CC(=C5)OC
InChI
InChI=1S/C27H22O8S2/c1-32-20-5-3-7-22(16-20)34-36(28,29)24-9-11-26-18(14-24)13-19-15-25(10-12-27(19)26)37(30,31)35-23-8-4-6-21(17-23)33-2/h3-12,14-17H,13H2,1-2H3
InChIKey
ZSYRQAVXDACANF-UHFFFAOYSA-N
Compound name
bis(3-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 228.1
[M+Na]+ 561.06482 236.1
[M-H]- 537.06832 239.1
[M+NH4]+ 556.10942 236.9
[M+K]+ 577.03876 232.5
[M+H-H2O]+ 521.07286 220.4
[M+HCOO]- 583.07380 238.5
[M+CH3COO]- 597.08945 240.1
[M+Na-2H]- 559.05027 233.6
[M]+ 538.07505 239.6
[M]- 538.07615 239.6
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.