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

26
Patents

286.97278 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98006 148.6
[M+Na]+ 309.96200 160.5
[M-H]- 285.96550 147.3
[M+NH4]+ 305.00660 165.0
[M+K]+ 325.93594 155.2
[M+H-H2O]+ 269.97004 141.6
[M+HCOO]- 331.97098 157.3
[M+CH3COO]- 345.98663 197.0
[M+Na-2H]- 307.94745 151.7
[M]+ 286.97223 150.7
[M]- 286.97333 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