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-fluoropyridin-3-yl)-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]+ 168.08193 132.4
[M+Na]+ 190.06387 140.6
[M-H]- 166.06737 133.6
[M+NH4]+ 185.10847 151.7
[M+K]+ 206.03781 139.0
[M+H-H2O]+ 150.07191 125.3
[M+HCOO]- 212.07285 153.1
[M+CH3COO]- 226.08850 180.6
[M+Na-2H]- 188.04932 137.0
[M]+ 167.07410 131.6
[M]- 167.07520 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