CID 93271

6-benzoyl-2-naphthol

Structural Information

Molecular Formula
C17H12O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)O
InChI
InChI=1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H
InChIKey
MJKZGSBXCWNUHV-UHFFFAOYSA-N
Compound name
(6-hydroxynaphthalen-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

112
Patents

248.08372 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09100 154.3
[M+Na]+ 271.07294 162.3
[M-H]- 247.07644 160.8
[M+NH4]+ 266.11754 171.5
[M+K]+ 287.04688 157.2
[M+H-H2O]+ 231.08098 146.8
[M+HCOO]- 293.08192 175.5
[M+CH3COO]- 307.09757 166.6
[M+Na-2H]- 269.05839 160.8
[M]+ 248.08317 153.5
[M]- 248.08427 153.5
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