CID 19023729

155557-12-3

Structural Information

Molecular Formula
C7H6FNO
SMILES
C1=CC(=CN=C1)C(=O)CF
InChI
InChI=1S/C7H6FNO/c8-4-7(10)6-2-1-3-9-5-6/h1-3,5H,4H2
InChIKey
UFHQCGXMZJAGNG-UHFFFAOYSA-N
Compound name
2-fluoro-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.04333 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05061 126.1
[M+Na]+ 162.03255 138.5
[M+NH4]+ 157.07715 134.1
[M+K]+ 178.00649 132.4
[M-H]- 138.03605 126.2
[M+Na-2H]- 160.01800 133.3
[M]+ 139.04278 127.7
[M]- 139.04388 127.7
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