CID 46311111

Methyl 2-chloro-6-(trifluoromethyl)nicotinate

Structural Information

Molecular Formula
C8H5ClF3NO2
SMILES
COC(=O)C1=C(N=C(C=C1)C(F)(F)F)Cl
InChI
InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-3-5(8(10,11)12)13-6(4)9/h2-3H,1H3
InChIKey
OFOKILFDGSZHKO-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

238.9961 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00338 147.0
[M+Na]+ 261.98532 156.9
[M+NH4]+ 257.02992 152.0
[M+K]+ 277.95926 152.4
[M-H]- 237.98882 142.9
[M+Na-2H]- 259.97077 150.9
[M]+ 238.99555 147.2
[M]- 238.99665 147.2
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