CID 3250203

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

Structural Information

Molecular Formula
C9H8FNO
SMILES
C=CC(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C9H8FNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)
InChIKey
LVCGCAYBLBKRDP-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

65
Patents

165.05899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 133.9
[M+Na]+ 188.04821 145.2
[M+NH4]+ 183.09281 141.5
[M+K]+ 204.02215 138.9
[M-H]- 164.05171 134.8
[M+Na-2H]- 186.03366 140.2
[M]+ 165.05844 135.5
[M]- 165.05954 135.5
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

patents stripe