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

1
Patents

169.01752 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.024796 128.1
[M+Na]+ 192.006738 138.0
[M-H]- 168.010244 128.5
[M+NH4]+ 187.051343 146.7
[M+K]+ 207.980678 136.0
[M+H-H2O]+ 152.014780 121.4
[M+HCOO]- 214.015721 149.5
[M+CH3COO]- 228.031371 175.5
[M+Na-2H]- 189.992186 133.8
[M]+ 169.01697142 127.8
[M]- 169.01806858 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

patents stripe