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]+ 291.101576 167.3
[M+Na]+ 313.083518 174.3
[M-H]- 289.087024 177.7
[M+NH4]+ 308.128123 182.5
[M+K]+ 329.057458 170.9
[M+H-H2O]+ 273.091560 159.2
[M+HCOO]- 335.092501 191.2
[M+CH3COO]- 349.108151 198.1
[M+Na-2H]- 311.068966 171.1
[M]+ 290.09375142 169.2
[M]- 290.09484858 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.