CID 980967

304686-19-9

Structural Information

Molecular Formula
C25H18N2O5S2
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=CC=CC=C5
InChI
InChI=1S/C25H18N2O5S2/c28-25-23-15-19(33(29,30)26-17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)34(31,32)27-18-9-5-2-6-10-18/h1-16,26-27H
InChIKey
QSWNEFHTPKDCPR-UHFFFAOYSA-N
Compound name
9-oxo-2-N,7-N-diphenylfluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

490.0657 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.072976 213.3
[M+Na]+ 513.054918 221.5
[M-H]- 489.058424 224.0
[M+NH4]+ 508.099523 223.5
[M+K]+ 529.028858 214.7
[M+H-H2O]+ 473.062960 205.9
[M+HCOO]- 535.063901 225.9
[M+CH3COO]- 549.079551 221.7
[M+Na-2H]- 511.040366 221.3
[M]+ 490.06515142 218.2
[M]- 490.06624858 218.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe