CID 11830681

406676-19-5

Structural Information

Molecular Formula
C6H2Cl2FNO2
SMILES
C1=C(C(=C(C(=N1)F)Cl)C(=O)O)Cl
InChI
InChI=1S/C6H2Cl2FNO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKey
MXARXLYFYAKILY-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-fluoropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.94466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.95194 130.3
[M+Na]+ 231.93388 142.3
[M-H]- 207.93738 130.4
[M+NH4]+ 226.97848 149.0
[M+K]+ 247.90782 137.4
[M+H-H2O]+ 191.94192 125.7
[M+HCOO]- 253.94286 142.0
[M+CH3COO]- 267.95851 181.1
[M+Na-2H]- 229.91933 134.9
[M]+ 208.94411 132.3
[M]- 208.94521 132.3
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.