CID 5863026

331462-05-6

Structural Information

Molecular Formula
C17H16FNO
SMILES
CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2F)C
InChI
InChI=1S/C17H16FNO/c1-12-7-8-14(13(2)11-12)9-10-17(20)19-16-6-4-3-5-15(16)18/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKey
WYDNPQBMJWUXPG-MDZDMXLPSA-N
Compound name
(E)-3-(2,4-dimethylphenyl)-N-(2-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.12158 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12886 161.7
[M+Na]+ 292.11080 169.5
[M-H]- 268.11430 167.4
[M+NH4]+ 287.15540 178.1
[M+K]+ 308.08474 164.2
[M+H-H2O]+ 252.11884 153.2
[M+HCOO]- 314.11978 184.7
[M+CH3COO]- 328.13543 201.9
[M+Na-2H]- 290.09625 164.5
[M]+ 269.12103 160.5
[M]- 269.12213 160.5
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.