CID 10727169

2-phenethylbenzaldehyde

Structural Information

Molecular Formula
C15H14O
SMILES
C1=CC=C(C=C1)CCC2=CC=CC=C2C=O
InChI
InChI=1S/C15H14O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKey
TWJJUQWNKOILOB-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

210.10446 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 147.6
[M+Na]+ 233.09368 163.5
[M+NH4]+ 228.13828 157.4
[M+K]+ 249.06762 154.0
[M-H]- 209.09718 153.1
[M+Na-2H]- 231.07913 158.5
[M]+ 210.10391 151.6
[M]- 210.10501 151.6
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

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