CID 234871

4-hydroxy-alpha-phenylcinnamic acid

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H12O3/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-10,16H,(H,17,18)
InChIKey
GAXUWNPJYOWVDR-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

240.07864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 153.1
[M+Na]+ 263.067858 159.2
[M-H]- 239.071364 157.1
[M+NH4]+ 258.112463 168.7
[M+K]+ 279.041798 154.9
[M+H-H2O]+ 223.075900 146.2
[M+HCOO]- 285.076841 173.2
[M+CH3COO]- 299.092491 186.7
[M+Na-2H]- 261.053306 156.5
[M]+ 240.07809142 150.7
[M]- 240.07918858 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe