CID 923035

853349-58-3

Structural Information

Molecular Formula
C19H14O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CO3
InChI
InChI=1S/C19H14O3/c20-19(13-12-17-7-4-14-21-17)22-18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-14H/b13-12+
InChIKey
KEDIAKQKZIZRRV-OUKQBFOZSA-N
Compound name
(4-phenylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10158 167.3
[M+Na]+ 313.08352 174.3
[M-H]- 289.08702 177.7
[M+NH4]+ 308.12812 182.5
[M+K]+ 329.05746 170.9
[M+H-H2O]+ 273.09156 159.2
[M+HCOO]- 335.09250 191.2
[M+CH3COO]- 349.10815 198.1
[M+Na-2H]- 311.06897 171.1
[M]+ 290.09375 169.2
[M]- 290.09485 169.2
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.