CID 61519978

1-(5-fluoropyridin-3-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C9H10FNO
SMILES
CC(C)C(=O)C1=CC(=CN=C1)F
InChI
InChI=1S/C9H10FNO/c1-6(2)9(12)7-3-8(10)5-11-4-7/h3-6H,1-2H3
InChIKey
VYZKSWRWSVEPPS-UHFFFAOYSA-N
Compound name
1-(5-fluoro-3-pyridinyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

167.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 132.4
[M+Na]+ 190.063868 140.6
[M-H]- 166.067374 133.6
[M+NH4]+ 185.108473 151.7
[M+K]+ 206.037808 139.0
[M+H-H2O]+ 150.071910 125.3
[M+HCOO]- 212.072851 153.1
[M+CH3COO]- 226.088501 180.6
[M+Na-2H]- 188.049316 137.0
[M]+ 167.07410142 131.6
[M]- 167.07519858 131.6
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