CID 6448154

(e,e)-3-(3-(1-oxo-3-phenyl-2-propenyl)phenyl)-2-propenoic acid

Structural Information

Molecular Formula
C18H14O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC(=C2)/C=C/C(=O)O
InChI
InChI=1S/C18H14O3/c19-17(11-9-14-5-2-1-3-6-14)16-8-4-7-15(13-16)10-12-18(20)21/h1-13H,(H,20,21)/b11-9+,12-10+
InChIKey
HFYXHQBRHCHWAO-WGDLNXRISA-N
Compound name
(E)-3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 165.4
[M+Na]+ 301.08352 178.5
[M+NH4]+ 296.12812 172.0
[M+K]+ 317.05746 171.1
[M-H]- 277.08702 168.0
[M+Na-2H]- 299.06897 172.8
[M]+ 278.09375 167.8
[M]- 278.09485 167.8
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

patents stripe