CID 40148079

1147979-43-8

Structural Information

Molecular Formula
C8H4Cl2F3NO2
SMILES
COC(=O)C1=C(C(=NC=C1C(F)(F)F)Cl)Cl
InChI
InChI=1S/C8H4Cl2F3NO2/c1-16-7(15)4-3(8(11,12)13)2-14-6(10)5(4)9/h2H,1H3
InChIKey
CGRVJEBAEWKDGY-UHFFFAOYSA-N
Compound name
methyl 2,3-dichloro-5-(trifluoromethyl)pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.95712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.96440 149.2
[M+Na]+ 295.94634 159.6
[M+NH4]+ 290.99094 154.2
[M+K]+ 311.92028 155.0
[M-H]- 271.94984 145.0
[M+Na-2H]- 293.93179 153.0
[M]+ 272.95657 149.7
[M]- 272.95767 149.7
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

No patent data available for this compound.