CID 2783262

3,5-difluoropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H3F2NO2
SMILES
C1=C(C=NC(=C1F)C(=O)O)F
InChI
InChI=1S/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
InChIKey
QKLXAJQKMIWFRC-UHFFFAOYSA-N
Compound name
3,5-difluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

715
Patents

159.01318 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02046 130.0
[M+Na]+ 182.00240 140.9
[M+NH4]+ 177.04700 136.0
[M+K]+ 197.97634 136.4
[M-H]- 158.00590 127.5
[M+Na-2H]- 179.98785 134.7
[M]+ 159.01263 130.4
[M]- 159.01373 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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