CID 4444925

Methyl beta-phenylcinnamate

Structural Information

Molecular Formula
C16H14O2
SMILES
COC(=O)C=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c1-18-16(17)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
HJCAYZRFYQQKOK-UHFFFAOYSA-N
Compound name
methyl 3,3-diphenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

238.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 155.0
[M+Na]+ 261.08860 169.1
[M+NH4]+ 256.13320 163.5
[M+K]+ 277.06254 161.3
[M-H]- 237.09210 159.2
[M+Na-2H]- 259.07405 164.5
[M]+ 238.09883 158.2
[M]- 238.09993 158.2
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

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