CID 923601

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

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1=CC(=CC=C1C=CC(=O)N)F
InChI
InChI=1S/C9H8FNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)
InChIKey
PNUAPSQYVPLFAN-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

165.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 132.0
[M+Na]+ 188.048208 140.0
[M-H]- 164.051714 134.1
[M+NH4]+ 183.092813 152.2
[M+K]+ 204.022148 137.0
[M+H-H2O]+ 148.056250 125.5
[M+HCOO]- 210.057191 155.6
[M+CH3COO]- 224.072841 179.7
[M+Na-2H]- 186.033656 136.9
[M]+ 165.05844142 128.7
[M]- 165.05953858 128.7
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

patents stripe