CID 167725613

4-chloro-6-(dimethylamino)-5-fluoropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H8ClFN2O2
SMILES
CN(C)C1=NC=C(C(=C1F)Cl)C(=O)O
InChI
InChI=1S/C8H8ClFN2O2/c1-12(2)7-6(10)5(9)4(3-11-7)8(13)14/h3H,1-2H3,(H,13,14)
InChIKey
YGJZDGXAUVNPEY-UHFFFAOYSA-N
Compound name
4-chloro-6-(dimethylamino)-5-fluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.02583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03311 139.7
[M+Na]+ 241.01505 150.0
[M-H]- 217.01855 141.6
[M+NH4]+ 236.05965 158.0
[M+K]+ 256.98899 147.2
[M+H-H2O]+ 201.02309 133.5
[M+HCOO]- 263.02403 157.5
[M+CH3COO]- 277.03968 190.7
[M+Na-2H]- 239.00050 143.4
[M]+ 218.02528 142.0
[M]- 218.02638 142.1
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.