CID 6108389

Substance h 30

Structural Information

Molecular Formula
C17H14O2
SMILES
C1=CC=C(C=C1)/C=C/C=C(/C2=CC=CC=C2)\C(=O)O
InChI
InChI=1S/C17H14O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-13H,(H,18,19)/b10-7+,16-13-
InChIKey
KBVJPYCDOSNQRI-SBFJKYRKSA-N
Compound name
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

250.09938 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 158.2
[M+Na]+ 273.08860 163.5
[M-H]- 249.09210 162.9
[M+NH4]+ 268.13320 173.9
[M+K]+ 289.06254 158.3
[M+H-H2O]+ 233.09664 150.8
[M+HCOO]- 295.09758 179.2
[M+CH3COO]- 309.11323 190.4
[M+Na-2H]- 271.07405 161.8
[M]+ 250.09883 155.8
[M]- 250.09993 155.8
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.