CID 22463

6088-51-3

Structural Information

Molecular Formula
C20H14O2S2
SMILES
C1=CC2=C(C=CC(=C2)SSC3=CC4=C(C=C3)C=C(C=C4)O)C=C1O
InChI
InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H
InChIKey
AHXGXXJEEHFHDK-UHFFFAOYSA-N
Compound name
6-[(6-hydroxynaphthalen-2-yl)disulfanyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

295
Patents

350.04352 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05080 172.5
[M+Na]+ 373.03274 183.1
[M-H]- 349.03624 178.4
[M+NH4]+ 368.07734 187.4
[M+K]+ 389.00668 174.4
[M+H-H2O]+ 333.04078 165.9
[M+HCOO]- 395.04172 183.1
[M+CH3COO]- 409.05737 183.2
[M+Na-2H]- 371.01819 178.1
[M]+ 350.04297 176.8
[M]- 350.04407 176.8
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