CID 81838848

1554058-23-9

Structural Information

Molecular Formula
C13H10F2N2O
SMILES
CC1=CN=C(N=C1)C(=O)CC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C13H10F2N2O/c1-8-6-16-13(17-7-8)12(18)4-9-2-3-10(14)5-11(9)15/h2-3,5-7H,4H2,1H3
InChIKey
VIYKDHDWIKSYJC-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07613 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08341 155.7
[M+Na]+ 271.06535 169.2
[M+NH4]+ 266.10995 162.0
[M+K]+ 287.03929 162.3
[M-H]- 247.06885 156.0
[M+Na-2H]- 269.05080 163.1
[M]+ 248.07558 157.6
[M]- 248.07668 157.6
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.