CID 2136120

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

Structural Information

Molecular Formula
C27H22O6S2
SMILES
CC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)OC5=CC=CC=C5C
InChI
InChI=1S/C27H22O6S2/c1-18-7-3-5-9-26(18)32-34(28,29)22-11-13-24-20(16-22)15-21-17-23(12-14-25(21)24)35(30,31)33-27-10-6-4-8-19(27)2/h3-14,16-17H,15H2,1-2H3
InChIKey
WDEKMPXUARDVNR-UHFFFAOYSA-N
Compound name
bis(2-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]+ 507.093076 222.8
[M+Na]+ 529.075018 232.0
[M-H]- 505.078524 234.0
[M+NH4]+ 524.119623 233.4
[M+K]+ 545.048958 226.5
[M+H-H2O]+ 489.083060 215.4
[M+HCOO]- 551.084001 232.9
[M+CH3COO]- 565.099651 235.9
[M+Na-2H]- 527.060466 227.0
[M]+ 506.08525142 231.8
[M]- 506.08634858 231.8
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.