CID 4383325

3-phenylnaphthalen-1-ol

Structural Information

Molecular Formula
C16H12O
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=C2)O
InChI
InChI=1S/C16H12O/c17-16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)16/h1-11,17H
InChIKey
MAPYOCUYNJWAJW-UHFFFAOYSA-N
Compound name
3-phenylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
Patents

220.08882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09610 147.0
[M+Na]+ 243.07804 155.7
[M-H]- 219.08154 153.7
[M+NH4]+ 238.12264 165.7
[M+K]+ 259.05198 150.2
[M+H-H2O]+ 203.08608 139.9
[M+HCOO]- 265.08702 169.3
[M+CH3COO]- 279.10267 160.1
[M+Na-2H]- 241.06349 155.4
[M]+ 220.08827 145.8
[M]- 220.08937 145.8
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