CID 46928604

(r)-1,1'-binaphthyl-2,2'-disulfonyl dichloride

Structural Information

Molecular Formula
C20H12Cl2O4S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C20H12Cl2O4S2/c21-27(23,24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(22,25)26/h1-12H
InChIKey
LPHLPJZENXUTJT-UHFFFAOYSA-N
Compound name
1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

449.9554 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.96268 196.7
[M+Na]+ 472.94462 209.3
[M-H]- 448.94812 205.4
[M+NH4]+ 467.98922 209.9
[M+K]+ 488.91856 201.5
[M+H-H2O]+ 432.95266 191.4
[M+HCOO]- 494.95360 199.0
[M+CH3COO]- 508.96925 206.9
[M+Na-2H]- 470.93007 204.0
[M]+ 449.95485 206.9
[M]- 449.95595 206.9
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