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]+ 200.03537 135.6
[M+Na]+ 222.01731 144.9
[M-H]- 198.02081 136.0
[M+NH4]+ 217.06191 153.0
[M+K]+ 237.99125 143.7
[M+H-H2O]+ 182.02535 128.6
[M+HCOO]- 244.02629 156.0
[M+CH3COO]- 258.04194 180.9
[M+Na-2H]- 220.00276 139.6
[M]+ 199.02754 136.5
[M]- 199.02864 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.