CID 5162089

4-(2-phenylethenyl)benzoic acid

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H12O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H,16,17)
InChIKey
IAGXTPCOGVFRSQ-UHFFFAOYSA-N
Compound name
4-(2-phenylethenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

189
Patents

224.08372 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 150.7
[M+Na]+ 247.07294 165.2
[M+NH4]+ 242.11754 159.1
[M+K]+ 263.04688 157.3
[M-H]- 223.07644 154.7
[M+Na-2H]- 245.05839 160.0
[M]+ 224.08317 153.9
[M]- 224.08427 153.9
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