CID 258568

3-acetylbiphenyl

Structural Information

Molecular Formula
C14H12O
SMILES
CC(=O)C1=CC=CC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H12O/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey
HUHQPWCDGRZWMH-UHFFFAOYSA-N
Compound name
1-(3-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

196.08882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 142.9
[M+Na]+ 219.07804 158.6
[M+NH4]+ 214.12264 152.8
[M+K]+ 235.05198 150.3
[M-H]- 195.08154 148.3
[M+Na-2H]- 217.06349 153.7
[M]+ 196.08827 146.9
[M]- 196.08937 146.9
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

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