CID 155978052

Methyl 5-fluorofuro[3,2-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H6FNO3
SMILES
COC(=O)C1=CC2=C(O1)C=CC(=N2)F
InChI
InChI=1S/C9H6FNO3/c1-13-9(12)7-4-5-6(14-7)2-3-8(10)11-5/h2-4H,1H3
InChIKey
CLUGJXYEXKXXQF-UHFFFAOYSA-N
Compound name
methyl 5-fluorofuro[3,2-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.03317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.040446 134.0
[M+Na]+ 218.022388 145.8
[M-H]- 194.025894 137.9
[M+NH4]+ 213.066993 154.2
[M+K]+ 233.996328 145.0
[M+H-H2O]+ 178.030430 127.3
[M+HCOO]- 240.031371 157.3
[M+CH3COO]- 254.047021 181.5
[M+Na-2H]- 216.007836 141.6
[M]+ 195.03262142 138.7
[M]- 195.03371858 138.7
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.