CID 69503

1-benzoylnaphthalene

Structural Information

Molecular Formula
C17H12O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H12O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChIKey
CXAYOCVHDCXPAI-UHFFFAOYSA-N
Compound name
naphthalen-1-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2075
Patents

232.08882 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09610 150.8
[M+Na]+ 255.07804 158.4
[M-H]- 231.08154 158.3
[M+NH4]+ 250.12264 169.1
[M+K]+ 271.05198 153.5
[M+H-H2O]+ 215.08608 143.1
[M+HCOO]- 277.08702 173.3
[M+CH3COO]- 291.10267 163.6
[M+Na-2H]- 253.06349 158.5
[M]+ 232.08827 150.0
[M]- 232.08937 150.0
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