CID 86951

1,1'-thiobis(2-naphthol)

Structural Information

Molecular Formula
C20H14O2S
SMILES
C1=CC=C2C(=C1)C=CC(=C2SC3=C(C=CC4=CC=CC=C43)O)O
InChI
InChI=1S/C20H14O2S/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChIKey
HGYMQZVPTMKXGI-UHFFFAOYSA-N
Compound name
1-(2-hydroxynaphthalen-1-yl)sulfanylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1135
Patents

318.07144 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07872 169.3
[M+Na]+ 341.06066 179.9
[M-H]- 317.06416 176.0
[M+NH4]+ 336.10526 185.3
[M+K]+ 357.03460 172.3
[M+H-H2O]+ 301.06870 162.0
[M+HCOO]- 363.06964 185.1
[M+CH3COO]- 377.08529 180.9
[M+Na-2H]- 339.04611 175.7
[M]+ 318.07089 172.5
[M]- 318.07199 172.5
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