CID 21062879

745833-19-6

Structural Information

Molecular Formula
C14H10ClF2NO2
SMILES
CCOC(=O)C1=C(N=C(C=C1)Cl)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C14H10ClF2NO2/c1-2-20-14(19)10-5-6-12(15)18-13(10)9-4-3-8(16)7-11(9)17/h3-7H,2H2,1H3
InChIKey
JPJLYIZLSBBOKF-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

297.0368 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04408 159.8
[M+Na]+ 320.02602 171.0
[M-H]- 296.02952 163.3
[M+NH4]+ 315.07062 175.1
[M+K]+ 335.99996 165.3
[M+H-H2O]+ 280.03406 150.8
[M+HCOO]- 342.03500 175.8
[M+CH3COO]- 356.05065 201.8
[M+Na-2H]- 318.01147 162.3
[M]+ 297.03625 162.5
[M]- 297.03735 162.5
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

patents stripe