CID 71300228

Ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H7ClF3NO2
SMILES
CCOC(=O)C1=NC=C(C(=C1)Cl)C(F)(F)F
InChI
InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-3-6(10)5(4-14-7)9(11,12)13/h3-4H,2H2,1H3
InChIKey
MGURPXRKABALRR-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01173 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01901 145.2
[M+Na]+ 276.00095 155.9
[M-H]- 252.00445 144.2
[M+NH4]+ 271.04555 162.3
[M+K]+ 291.97489 152.0
[M+H-H2O]+ 236.00899 137.3
[M+HCOO]- 298.00993 158.9
[M+CH3COO]- 312.02558 191.3
[M+Na-2H]- 273.98640 149.6
[M]+ 253.01118 145.8
[M]- 253.01228 145.8
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.