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]+ 239.10666 153.3
[M+Na]+ 261.08860 160.2
[M-H]- 237.09210 159.8
[M+NH4]+ 256.13320 170.5
[M+K]+ 277.06254 156.3
[M+H-H2O]+ 221.09664 145.7
[M+HCOO]- 283.09758 176.9
[M+CH3COO]- 297.11323 192.4
[M+Na-2H]- 259.07405 158.4
[M]+ 238.09883 154.3
[M]- 238.09993 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.