CID 113157

63217-39-0

Structural Information

Molecular Formula
C22H15ClO8S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)Cl)OS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H15ClO8S3/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19/h1-15H
InChIKey
LPVTZQLZNSDOAF-UHFFFAOYSA-N
Compound name
[3-(benzenesulfonyloxy)-6-chlorosulfonylnaphthalen-2-yl] benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

537.96173 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.96901 221.1
[M+Na]+ 560.95095 228.8
[M-H]- 536.95445 229.9
[M+NH4]+ 555.99555 227.4
[M+K]+ 576.92489 222.2
[M+H-H2O]+ 520.95899 213.8
[M+HCOO]- 582.95993 222.3
[M+CH3COO]- 596.97558 232.4
[M+Na-2H]- 558.93640 230.6
[M]+ 537.96118 229.5
[M]- 537.96228 229.5
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