CID 5842785

4-phenylcinnamic acid

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
InChIKey
DMJDEZUEYXVYNO-DHZHZOJOSA-N
Compound name
(E)-3-(4-phenylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1281
Patents

224.08372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 149.3
[M+Na]+ 247.07294 156.4
[M-H]- 223.07644 154.7
[M+NH4]+ 242.11754 166.5
[M+K]+ 263.04688 151.7
[M+H-H2O]+ 207.08098 142.3
[M+HCOO]- 269.08192 171.8
[M+CH3COO]- 283.09757 186.2
[M+Na-2H]- 245.05839 154.5
[M]+ 224.08317 148.0
[M]- 224.08427 148.0
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