CID 931990

(e)-2-cyano-3-(4-fluorophenyl)prop-2-enamide

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

12
Patents

190.05424 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06152 143.2
[M+Na]+ 213.04346 152.2
[M-H]- 189.04696 144.7
[M+NH4]+ 208.08806 160.0
[M+K]+ 229.01740 148.7
[M+H-H2O]+ 173.05150 129.8
[M+HCOO]- 235.05244 161.7
[M+CH3COO]- 249.06809 196.8
[M+Na-2H]- 211.02891 145.7
[M]+ 190.05369 134.6
[M]- 190.05479 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.