CID 32499

(p-phenethylphenyl)glyoxal

Structural Information

Molecular Formula
C16H14O2
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C=O
InChI
InChI=1S/C16H14O2/c17-12-16(18)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
InChIKey
YEWSCLFUUYUKAE-UHFFFAOYSA-N
Compound name
2-oxo-2-[4-(2-phenylethyl)phenyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 153.3
[M+Na]+ 261.088598 160.2
[M-H]- 237.092104 159.8
[M+NH4]+ 256.133203 170.5
[M+K]+ 277.062538 156.3
[M+H-H2O]+ 221.096640 145.7
[M+HCOO]- 283.097581 176.9
[M+CH3COO]- 297.113231 192.4
[M+Na-2H]- 259.074046 158.4
[M]+ 238.09883142 154.3
[M]- 238.09992858 154.3
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.