CID 129968278

5-fluoro-6-formylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H4FNO3
SMILES
C1=C(C=NC(=C1F)C=O)C(=O)O
InChI
InChI=1S/C7H4FNO3/c8-5-1-4(7(11)12)2-9-6(5)3-10/h1-3H,(H,11,12)
InChIKey
WOZHKOVBRNWULD-UHFFFAOYSA-N
Compound name
5-fluoro-6-formylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01752 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02480 128.1
[M+Na]+ 192.00674 138.0
[M-H]- 168.01024 128.5
[M+NH4]+ 187.05134 146.7
[M+K]+ 207.98068 136.0
[M+H-H2O]+ 152.01478 121.4
[M+HCOO]- 214.01572 149.5
[M+CH3COO]- 228.03137 175.5
[M+Na-2H]- 189.99219 133.8
[M]+ 169.01697 127.8
[M]- 169.01807 127.8
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.