CID 5852329

1-(4-fluorophenyl)-3-(3-pyridinyl)-2-propen-1-one

Structural Information

Molecular Formula
C14H10FNO
SMILES
C1=CC(=CN=C1)/C=C/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H10FNO/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10H/b8-3+
InChIKey
FRYWLNMRJYVFMB-FPYGCLRLSA-N
Compound name
(E)-1-(4-fluorophenyl)-3-pyridin-3-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

227.07465 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08193 148.4
[M+Na]+ 250.06387 156.4
[M-H]- 226.06737 152.3
[M+NH4]+ 245.10847 164.7
[M+K]+ 266.03781 151.6
[M+H-H2O]+ 210.07191 139.4
[M+HCOO]- 272.07285 170.0
[M+CH3COO]- 286.08850 189.0
[M+Na-2H]- 248.04932 154.0
[M]+ 227.07410 146.5
[M]- 227.07520 146.5
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