CID 931990

Cinnamamide, alpha-cyano-3-fluoro-

Structural Information

Molecular Formula
C10H7FN2O
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)F
InChI
InChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
InChIKey
WOEWWPQQUQZVHI-VMPITWQZSA-N
Compound name
(E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

10
Patents

190.05424 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.061516 143.2
[M+Na]+ 213.043458 152.2
[M-H]- 189.046964 144.7
[M+NH4]+ 208.088063 160.0
[M+K]+ 229.017398 148.7
[M+H-H2O]+ 173.051500 129.8
[M+HCOO]- 235.052441 161.7
[M+CH3COO]- 249.068091 196.8
[M+Na-2H]- 211.028906 145.7
[M]+ 190.05369142 134.6
[M]- 190.05478858 134.6
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

No patent data available for this compound.