CID 1549519

5-phenylpenta-2,4-dienophenone

Structural Information

Molecular Formula
C17H14O
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H14O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14H/b11-7+,14-8+
InChIKey
QONKLJMPKWQQFG-HPIZBCMHSA-N
Compound name
(2E,4E)-1,5-diphenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

67
Patents

234.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11174 154.2
[M+Na]+ 257.09368 160.3
[M-H]- 233.09718 160.2
[M+NH4]+ 252.13828 171.4
[M+K]+ 273.06762 154.9
[M+H-H2O]+ 217.10172 146.6
[M+HCOO]- 279.10266 177.4
[M+CH3COO]- 293.11831 190.2
[M+Na-2H]- 255.07913 159.5
[M]+ 234.10391 152.8
[M]- 234.10501 152.8
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