CID 7023019

(4-fluorophenyl)(pyridin-4-yl)methanone

Structural Information

Molecular Formula
C12H8FNO
SMILES
C1=CC(=CC=C1C(=O)C2=CC=NC=C2)F
InChI
InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChIKey
WTRWBYGUMQEFFI-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

48
Patents

201.05899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06627 139.9
[M+Na]+ 224.04821 148.5
[M-H]- 200.05171 144.2
[M+NH4]+ 219.09281 157.4
[M+K]+ 240.02215 144.8
[M+H-H2O]+ 184.05625 131.3
[M+HCOO]- 246.05719 162.1
[M+CH3COO]- 260.07284 184.5
[M+Na-2H]- 222.03366 146.7
[M]+ 201.05844 138.2
[M]- 201.05954 138.2
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