CID 121060

Benzaldehyde, p-phenethyl-

Structural Information

Molecular Formula
C15H14O
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C=O
InChI
InChI=1S/C15H14O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
InChIKey
IVNWLIBLNSKBSD-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

210.10446 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 146.1
[M+Na]+ 233.09368 153.6
[M-H]- 209.09718 152.7
[M+NH4]+ 228.13828 164.8
[M+K]+ 249.06762 149.4
[M+H-H2O]+ 193.10172 138.9
[M+HCOO]- 255.10266 170.7
[M+CH3COO]- 269.11831 187.4
[M+Na-2H]- 231.07913 153.0
[M]+ 210.10391 146.7
[M]- 210.10501 146.7
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

patents stripe