CID 2136123

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

Structural Information

Molecular Formula
C27H22O6S2
SMILES
CC1=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)C
InChI
InChI=1S/C27H22O6S2/c1-18-3-7-22(8-4-18)32-34(28,29)24-11-13-26-20(16-24)15-21-17-25(12-14-27(21)26)35(30,31)33-23-9-5-19(2)6-10-23/h3-14,16-17H,15H2,1-2H3
InChIKey
GYNHKNYUTBUIPN-UHFFFAOYSA-N
Compound name
bis(4-methylphenyl) 9H-fluorene-2,7-disulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.0858 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.09308 215.5
[M+Na]+ 529.07502 230.2
[M+NH4]+ 524.11962 222.7
[M+K]+ 545.04896 220.6
[M-H]- 505.07852 220.8
[M+Na-2H]- 527.06047 224.1
[M]+ 506.08525 220.4
[M]- 506.08635 220.4
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.