CID 68615871

1354225-51-6

Structural Information

Molecular Formula
C8H8FNO3
SMILES
CCOC1=C(C=C(C=N1)C(=O)O)F
InChI
InChI=1S/C8H8FNO3/c1-2-13-7-6(9)3-5(4-10-7)8(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKey
ZEWLJNSZDSESEP-UHFFFAOYSA-N
Compound name
6-ethoxy-5-fluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.04883 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.056106 134.2
[M+Na]+ 208.038048 143.4
[M-H]- 184.041554 134.4
[M+NH4]+ 203.082653 152.3
[M+K]+ 224.011988 141.8
[M+H-H2O]+ 168.046090 127.2
[M+HCOO]- 230.047031 155.1
[M+CH3COO]- 244.062681 179.4
[M+Na-2H]- 206.023496 139.3
[M]+ 185.04828142 135.0
[M]- 185.04937858 135.0
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

patents stripe