CID 132398963

2-chloro-5-(2,2-difluoroethoxy)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H6ClF2NO3
SMILES
C1=C(C(=CN=C1Cl)OCC(F)F)C(=O)O
InChI
InChI=1S/C8H6ClF2NO3/c9-6-1-4(8(13)14)5(2-12-6)15-3-7(10)11/h1-2,7H,3H2,(H,13,14)
InChIKey
KVWINZXZJYQQSK-UHFFFAOYSA-N
Compound name
2-chloro-5-(2,2-difluoroethoxy)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.00043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.00771 140.1
[M+Na]+ 259.98965 149.9
[M-H]- 235.99315 138.9
[M+NH4]+ 255.03425 156.8
[M+K]+ 275.96359 146.4
[M+H-H2O]+ 219.99769 133.1
[M+HCOO]- 281.99863 154.6
[M+CH3COO]- 296.01428 186.8
[M+Na-2H]- 257.97510 143.3
[M]+ 236.99988 141.3
[M]- 237.00098 141.3
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.