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]+ 225.090996 147.8
[M+Na]+ 247.072938 156.2
[M-H]- 223.076444 155.0
[M+NH4]+ 242.117543 166.0
[M+K]+ 263.046878 152.5
[M+H-H2O]+ 207.080980 140.7
[M+HCOO]- 269.081921 171.8
[M+CH3COO]- 283.097571 190.6
[M+Na-2H]- 245.058386 152.8
[M]+ 224.08317142 148.9
[M]- 224.08426858 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.