CID 6435323

(e)-2-(1-cyano-2-phenylethenyl)benzoic acid

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)/C=C(/C#N)\C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H11NO2/c17-11-13(10-12-6-2-1-3-7-12)14-8-4-5-9-15(14)16(18)19/h1-10H,(H,18,19)/b13-10-
InChIKey
VAFPVNGVIQGDIA-RAXLEYEMSA-N
Compound name
2-[(E)-1-cyano-2-phenylethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07898 Da
Monoisotopic Mass

3.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.