CID 53399040

Alpha-cyano-4-phenylcinnamic acid

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C#N)C(=O)O
InChI
InChI=1S/C16H11NO2/c17-11-15(16(18)19)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,(H,18,19)
InChIKey
SSDJWNJOVIGIQA-UHFFFAOYSA-N
Compound name
2-cyano-3-(4-phenylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.07898 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 160.1
[M+Na]+ 272.06820 172.9
[M+NH4]+ 267.11280 164.3
[M+K]+ 288.04214 162.8
[M-H]- 248.07170 156.0
[M+Na-2H]- 270.05365 165.2
[M]+ 249.07843 159.9
[M]- 249.07953 159.9
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

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