CID 67151515

1302580-98-8

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C1CC1(C2=NC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C9H8FNO2/c10-6-1-2-7(11-5-6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKey
KLVFERIITBXTIL-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

181.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.061186 136.2
[M+Na]+ 204.043128 146.7
[M-H]- 180.046634 140.5
[M+NH4]+ 199.087733 151.2
[M+K]+ 220.017068 143.9
[M+H-H2O]+ 164.051170 129.4
[M+HCOO]- 226.052111 156.9
[M+CH3COO]- 240.067761 180.7
[M+Na-2H]- 202.028576 142.8
[M]+ 181.05336142 137.2
[M]- 181.05445858 137.2
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

patents stripe