CID 80483147

2-cyclopropyl-1-(5-fluoropyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C10H10FNO
SMILES
C1CC1CC(=O)C2=CC(=CN=C2)F
InChI
InChI=1S/C10H10FNO/c11-9-4-8(5-12-6-9)10(13)3-7-1-2-7/h4-7H,1-3H2
InChIKey
FAPSJQLOAXLSJO-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-(5-fluoro-3-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 136.7
[M+Na]+ 202.063868 146.4
[M-H]- 178.067374 141.7
[M+NH4]+ 197.108473 150.5
[M+K]+ 218.037808 143.1
[M+H-H2O]+ 162.071910 128.3
[M+HCOO]- 224.072851 158.6
[M+CH3COO]- 238.088501 184.6
[M+Na-2H]- 200.049316 142.3
[M]+ 179.07410142 137.8
[M]- 179.07519858 137.8
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

No patent data available for this compound.