CID 853912

13250-03-8

Structural Information

Molecular Formula
C20H14O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H14O2S/c21-23(22,19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKey
AEKZEKVVJXLCSI-UHFFFAOYSA-N
Compound name
1-naphthalen-1-ylsulfonylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

443
Patents

318.07144 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07872 171.6
[M+Na]+ 341.06066 182.3
[M-H]- 317.06416 180.6
[M+NH4]+ 336.10526 188.3
[M+K]+ 357.03460 175.5
[M+H-H2O]+ 301.06870 163.8
[M+HCOO]- 363.06964 189.1
[M+CH3COO]- 377.08529 183.8
[M+Na-2H]- 339.04611 180.5
[M]+ 318.07089 175.5
[M]- 318.07199 175.5
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