CID 111043

Benzeneacetaldehyde, .alpha.-(2-phenylethylidene)-

Structural Information

Molecular Formula
C16H14O
SMILES
C1=CC=C(C=C1)CC=C(C=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O/c17-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,12-13H,11H2
InChIKey
AXZDPAXJQHIRTE-UHFFFAOYSA-N
Compound name
2,4-diphenylbut-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

22
Patents

222.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 150.6
[M+Na]+ 245.093678 156.7
[M-H]- 221.097184 156.7
[M+NH4]+ 240.138283 168.3
[M+K]+ 261.067618 152.1
[M+H-H2O]+ 205.101720 143.1
[M+HCOO]- 267.102661 174.0
[M+CH3COO]- 281.118311 188.7
[M+Na-2H]- 243.079126 156.4
[M]+ 222.10391142 149.6
[M]- 222.10500858 149.6
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

patents stripe