CID 129958326

Methyl 4-chloro-5-(trifluoromethyl)picolinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.4
[M+Na]+ 261.98532 151.6
[M-H]- 237.98882 139.5
[M+NH4]+ 257.02992 158.0
[M+K]+ 277.95926 147.9
[M+H-H2O]+ 221.99336 132.7
[M+HCOO]- 283.99430 154.4
[M+CH3COO]- 298.00995 188.3
[M+Na-2H]- 259.97077 145.3
[M]+ 238.99555 140.6
[M]- 238.99665 140.6
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.