CID 40425121

5-chloro-2-fluoronicotinic acid

Structural Information

Molecular Formula
C6H3ClFNO2
SMILES
C1=C(C=NC(=C1C(=O)O)F)Cl
InChI
InChI=1S/C6H3ClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKey
TYSZXBYTBZUZQB-UHFFFAOYSA-N
Compound name
5-chloro-2-fluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.98363 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.99091 128.3
[M+Na]+ 197.97285 141.3
[M+NH4]+ 193.01745 135.7
[M+K]+ 213.94679 136.0
[M-H]- 173.97635 127.5
[M+Na-2H]- 195.95830 134.4
[M]+ 174.98308 130.0
[M]- 174.98418 130.0
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

No patent data available for this compound.