CID 58516108

1256788-49-4

Structural Information

Molecular Formula
C8H7F2NO
SMILES
CC(=O)C1=CC(=NC=C1)C(F)F
InChI
InChI=1S/C8H7F2NO/c1-5(12)6-2-3-11-7(4-6)8(9)10/h2-4,8H,1H3
InChIKey
TYLZKBGNHNAPDG-UHFFFAOYSA-N
Compound name
1-[2-(difluoromethyl)pyridin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

171.04958 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 130.5
[M+Na]+ 194.03880 139.1
[M-H]- 170.04230 130.4
[M+NH4]+ 189.08340 149.5
[M+K]+ 210.01274 137.4
[M+H-H2O]+ 154.04684 122.5
[M+HCOO]- 216.04778 150.4
[M+CH3COO]- 230.06343 180.4
[M+Na-2H]- 192.02425 135.0
[M]+ 171.04903 128.1
[M]- 171.05013 128.1
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