CID 45792414

2-(4-fluorobenzoyl)pyrimidine

Structural Information

Molecular Formula
C11H7FN2O
SMILES
C1=CN=C(N=C1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H7FN2O/c12-9-4-2-8(3-5-9)10(15)11-13-6-1-7-14-11/h1-7H
InChIKey
VWPIUVPYXFOGMA-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-pyrimidin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.05424 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06152 140.1
[M+Na]+ 225.04346 149.0
[M-H]- 201.04696 143.0
[M+NH4]+ 220.08806 156.0
[M+K]+ 241.01740 145.3
[M+H-H2O]+ 185.05150 130.6
[M+HCOO]- 247.05244 161.1
[M+CH3COO]- 261.06809 184.2
[M+Na-2H]- 223.02891 147.5
[M]+ 202.05369 138.5
[M]- 202.05479 138.5
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

No patent data available for this compound.