CID 6108389

2,4-pentadienoic acid, 2,5-diphenyl-

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: 8
Patents: 250.09938 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.106656	158.2
[M+Na]+	273.088598	163.5
[M-H]-	249.092104	162.9
[M+NH4]+	268.133203	173.9
[M+K]+	289.062538	158.3
[M+H-H2O]+	233.096640	150.8
[M+HCOO]-	295.097581	179.2
[M+CH3COO]-	309.113231	190.4
[M+Na-2H]-	271.074046	161.8
[M]+	250.09883142	155.8
[M]-	250.09992858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe