CID 2756263

3-(3-acetylphenyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.08372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 147.8
[M+Na]+ 247.07294 156.2
[M-H]- 223.07644 155.0
[M+NH4]+ 242.11754 166.0
[M+K]+ 263.04688 152.5
[M+H-H2O]+ 207.08098 140.7
[M+HCOO]- 269.08192 171.8
[M+CH3COO]- 283.09757 190.6
[M+Na-2H]- 245.05839 152.8
[M]+ 224.08317 148.9
[M]- 224.08427 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.