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]+ 507.09308 222.8
[M+Na]+ 529.07502 232.0
[M-H]- 505.07852 234.0
[M+NH4]+ 524.11962 233.4
[M+K]+ 545.04896 226.5
[M+H-H2O]+ 489.08306 215.4
[M+HCOO]- 551.08400 232.9
[M+CH3COO]- 565.09965 235.9
[M+Na-2H]- 527.06047 227.0
[M]+ 506.08525 231.8
[M]- 506.08635 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.