CID 25132244

1-(2,6-difluoropyridin-3-yl)ethanone

Structural Information

Molecular Formula
C7H5F2NO
SMILES
CC(=O)C1=C(N=C(C=C1)F)F
InChI
InChI=1S/C7H5F2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
InChIKey
KVBDQWJQRISCAV-UHFFFAOYSA-N
Compound name
1-(2,6-difluoropyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

157.03392 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04120 131.1
[M+Na]+ 180.02314 142.9
[M+NH4]+ 175.06774 138.0
[M+K]+ 195.99708 137.3
[M-H]- 156.02664 129.7
[M+Na-2H]- 178.00859 136.7
[M]+ 157.03337 132.1
[M]- 157.03447 132.1
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

patents stripe