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]+ 198.056106 138.5
[M+Na]+ 220.038048 149.1
[M-H]- 196.041554 142.7
[M+NH4]+ 215.082653 151.2
[M+K]+ 236.011988 145.5
[M+H-H2O]+ 180.046090 130.7
[M+HCOO]- 242.047031 159.6
[M+CH3COO]- 256.062681 184.2
[M+Na-2H]- 218.023496 143.4
[M]+ 197.04828142 140.8
[M]- 197.04937858 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.