CID 15258354

1,1'-bi-2-naphthyl dimethanesulfonate

Structural Information

Molecular Formula
C22H18O6S2
SMILES
CS(=O)(=O)OC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C
InChI
InChI=1S/C22H18O6S2/c1-29(23,24)27-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)28-30(2,25)26/h3-14H,1-2H3
InChIKey
JQEOOLQENOFUCF-UHFFFAOYSA-N
Compound name
[1-(2-methylsulfonyloxynaphthalen-1-yl)naphthalen-2-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

442.05447 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.06175 202.3
[M+Na]+ 465.04369 212.2
[M-H]- 441.04719 210.4
[M+NH4]+ 460.08829 213.7
[M+K]+ 481.01763 206.8
[M+H-H2O]+ 425.05173 194.1
[M+HCOO]- 487.05267 213.0
[M+CH3COO]- 501.06832 224.2
[M+Na-2H]- 463.02914 210.3
[M]+ 442.05392 211.9
[M]- 442.05502 211.9
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