CID 112706915

1-(5-fluoropyridin-3-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C1CC1(C2=CC(=CN=C2)F)C(=O)O
InChI
InChI=1S/C9H8FNO2/c10-7-3-6(4-11-5-7)9(1-2-9)8(12)13/h3-5H,1-2H2,(H,12,13)
InChIKey
IQEIYKMKTWSNMC-UHFFFAOYSA-N
Compound name
1-(5-fluoropyridin-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 142.3
[M+Na]+ 204.04313 155.0
[M+NH4]+ 199.08773 151.3
[M+K]+ 220.01707 149.4
[M-H]- 180.04663 149.6
[M+Na-2H]- 202.02858 152.2
[M]+ 181.05336 147.2
[M]- 181.05446 147.2
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.