CID 343823

Bis(4-(phenylsulfonyl)phenyl)methanone

Structural Information

Molecular Formula
C25H18O5S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H18O5S2/c26-25(19-11-15-23(16-12-19)31(27,28)21-7-3-1-4-8-21)20-13-17-24(18-14-20)32(29,30)22-9-5-2-6-10-22/h1-18H
InChIKey
YJNANYAKEVSFCI-UHFFFAOYSA-N
Compound name
bis[4-(benzenesulfonyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.05957 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.06685 209.7
[M+Na]+ 485.04879 216.7
[M-H]- 461.05229 221.4
[M+NH4]+ 480.09339 217.1
[M+K]+ 501.02273 209.6
[M+H-H2O]+ 445.05683 199.9
[M+HCOO]- 507.05777 220.5
[M+CH3COO]- 521.07342 225.3
[M+Na-2H]- 483.03424 213.4
[M]+ 462.05902 212.4
[M]- 462.06012 212.4
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.