CID 69516

2-naphthyl phenyl ketone

Structural Information

Molecular Formula
C17H12O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKey
SJNXJRVDSTZUFB-UHFFFAOYSA-N
Compound name
naphthalen-2-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2486
Patents

232.08882 Da
Monoisotopic Mass

4.9
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