CID 785207

Phenyl cinnamate

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H12O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey
NBFNGRDFKUJVIN-VAWYXSNFSA-N
Compound name
phenyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

507
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 149.7
[M+Na]+ 247.07294 156.3
[M-H]- 223.07644 156.1
[M+NH4]+ 242.11754 167.3
[M+K]+ 263.04688 152.5
[M+H-H2O]+ 207.08098 142.2
[M+HCOO]- 269.08192 173.6
[M+CH3COO]- 283.09757 187.0
[M+Na-2H]- 245.05839 156.0
[M]+ 224.08317 149.7
[M]- 224.08427 149.7
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