CID 64088648

3-(3,5-difluorobenzoyl)pyridin-2-amine

Structural Information

Molecular Formula
C12H8F2N2O
SMILES
C1=CC(=C(N=C1)N)C(=O)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C12H8F2N2O/c13-8-4-7(5-9(14)6-8)11(17)10-2-1-3-16-12(10)15/h1-6H,(H2,15,16)
InChIKey
VDMGBKKHGAPVIW-UHFFFAOYSA-N
Compound name
(2-aminopyridin-3-yl)-(3,5-difluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06047 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06775 147.7
[M+Na]+ 257.04969 157.3
[M-H]- 233.05319 150.8
[M+NH4]+ 252.09429 163.7
[M+K]+ 273.02363 152.7
[M+H-H2O]+ 217.05773 138.1
[M+HCOO]- 279.05867 169.1
[M+CH3COO]- 293.07432 193.8
[M+Na-2H]- 255.03514 151.7
[M]+ 234.05992 144.0
[M]- 234.06102 144.0
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.