CID 13129583

2-acetyl-3-fluoropyridine

Structural Information

Molecular Formula
C7H6FNO
SMILES
CC(=O)C1=C(C=CC=N1)F
InChI
InChI=1S/C7H6FNO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3
InChIKey
CCZMVVFNNQQTFC-UHFFFAOYSA-N
Compound name
1-(3-fluoro-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

139.04333 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.050606 123.0
[M+Na]+ 162.032548 132.3
[M-H]- 138.036054 124.5
[M+NH4]+ 157.077153 143.5
[M+K]+ 178.006488 130.8
[M+H-H2O]+ 122.040590 116.2
[M+HCOO]- 184.041531 145.4
[M+CH3COO]- 198.057181 173.7
[M+Na-2H]- 160.017996 130.0
[M]+ 139.04278142 122.1
[M]- 139.04387858 122.1
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