CID 72230908

1243358-80-6

Structural Information

Molecular Formula
C9H8FNO3
SMILES
C1CC1OC2=C(N=C(C=C2)C(=O)O)F
InChI
InChI=1S/C9H8FNO3/c10-8-7(14-5-1-2-5)4-3-6(11-8)9(12)13/h3-5H,1-2H2,(H,12,13)
InChIKey
LHMXHXXXQQHAEF-UHFFFAOYSA-N
Compound name
5-cyclopropyloxy-6-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.04883 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05611 138.5
[M+Na]+ 220.03805 149.1
[M-H]- 196.04155 142.7
[M+NH4]+ 215.08265 151.2
[M+K]+ 236.01199 145.5
[M+H-H2O]+ 180.04609 130.7
[M+HCOO]- 242.04703 159.6
[M+CH3COO]- 256.06268 184.2
[M+Na-2H]- 218.02350 143.4
[M]+ 197.04828 140.8
[M]- 197.04938 140.8
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.