CID 14187

1096-84-0

Structural Information

Molecular Formula
C21H16O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)O
InChI
InChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2
InChIKey
ZPANWZBSGMDWON-UHFFFAOYSA-N
Compound name
1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

6742
Patents

300.11502 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 170.0
[M+Na]+ 323.10424 189.0
[M+NH4]+ 318.14884 180.4
[M+K]+ 339.07818 178.5
[M-H]- 299.10774 176.9
[M+Na-2H]- 321.08969 180.6
[M]+ 300.11447 175.2
[M]- 300.11557 175.2
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