CID 137928371

2253629-83-1

Structural Information

Molecular Formula
C8H6FNO4
SMILES
COC(=O)C1=NC=C(C(=C1)C(=O)O)F
InChI
InChI=1S/C8H6FNO4/c1-14-8(13)6-2-4(7(11)12)5(9)3-10-6/h2-3H,1H3,(H,11,12)
InChIKey
LVYVIKVAKUQVDL-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxycarbonylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.02809 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.035366 135.6
[M+Na]+ 222.017308 144.9
[M-H]- 198.020814 136.0
[M+NH4]+ 217.061913 153.0
[M+K]+ 237.991248 143.7
[M+H-H2O]+ 182.025350 128.6
[M+HCOO]- 244.026291 156.0
[M+CH3COO]- 258.041941 180.9
[M+Na-2H]- 220.002756 139.6
[M]+ 199.02754142 136.5
[M]- 199.02863858 136.5
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.