CID 71608086

Ethyl 2,4-dichloro-6-(trifluoromethyl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C9H6Cl2F3NO2
SMILES
CCOC(=O)C1=C(N=C(C=C1Cl)C(F)(F)F)Cl
InChI
InChI=1S/C9H6Cl2F3NO2/c1-2-17-8(16)6-4(10)3-5(9(12,13)14)15-7(6)11/h3H,2H2,1H3
InChIKey
ONXAJTMZYKDUGI-UHFFFAOYSA-N
Compound name
ethyl 2,4-dichloro-6-(trifluoromethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

286.97278 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.980056 148.6
[M+Na]+ 309.961998 160.5
[M-H]- 285.965504 147.3
[M+NH4]+ 305.006603 165.0
[M+K]+ 325.935938 155.2
[M+H-H2O]+ 269.970040 141.6
[M+HCOO]- 331.970981 157.3
[M+CH3COO]- 345.986631 197.0
[M+Na-2H]- 307.947446 151.7
[M]+ 286.97223142 150.7
[M]- 286.97332858 150.7
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