CID 988114

303059-41-8

Structural Information

Molecular Formula
C25H16Cl2N2O5S2
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)Cl)Cl
InChI
InChI=1S/C25H16Cl2N2O5S2/c26-15-1-5-17(6-2-15)28-35(31,32)19-9-11-21-22-12-10-20(14-24(22)25(30)23(21)13-19)36(33,34)29-18-7-3-16(27)4-8-18/h1-14,28-29H
InChIKey
JOKVGBKWEMSCMP-UHFFFAOYSA-N
Compound name
2-N,7-N-bis(4-chlorophenyl)-9-oxofluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

557.9878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.99508 226.9
[M+Na]+ 580.97702 237.1
[M-H]- 556.98052 238.1
[M+NH4]+ 576.02162 236.6
[M+K]+ 596.95096 229.8
[M+H-H2O]+ 540.98506 221.6
[M+HCOO]- 602.98600 230.4
[M+CH3COO]- 617.00165 234.8
[M+Na-2H]- 578.96247 232.7
[M]+ 557.98725 236.7
[M]- 557.98835 236.7
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

patents stripe