CID 2763076

3-acetylbenzophenone

Structural Information

Molecular Formula
C15H12O2
SMILES
CC(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey
PPNGALBGZJBTRY-UHFFFAOYSA-N
Compound name
1-(3-benzoylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

89
Patents

224.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 149.6
[M+Na]+ 247.07294 164.3
[M+NH4]+ 242.11754 158.3
[M+K]+ 263.04688 157.0
[M-H]- 223.07644 153.9
[M+Na-2H]- 245.05839 159.2
[M]+ 224.08317 153.0
[M]- 224.08427 153.0
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