CID 14187

2-naphthalenol, 1,1'-methylenebis-

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
3
Annotation Hits

9
References

6872
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 168.9
[M+Na]+ 323.10424 178.8
[M-H]- 299.10774 175.6
[M+NH4]+ 318.14884 184.8
[M+K]+ 339.07818 171.5
[M+H-H2O]+ 283.11228 160.7
[M+HCOO]- 345.11322 189.0
[M+CH3COO]- 359.12887 180.5
[M+Na-2H]- 321.08969 176.6
[M]+ 300.11447 169.8
[M]- 300.11557 169.8
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