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-fluoropyridin-3-yl)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]+ 180.08193 136.7
[M+Na]+ 202.06387 146.4
[M-H]- 178.06737 141.7
[M+NH4]+ 197.10847 150.5
[M+K]+ 218.03781 143.1
[M+H-H2O]+ 162.07191 128.3
[M+HCOO]- 224.07285 158.6
[M+CH3COO]- 238.08850 184.6
[M+Na-2H]- 200.04932 142.3
[M]+ 179.07410 137.8
[M]- 179.07520 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.