CID 71300228

1407516-45-3

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 151.3
[M+Na]+ 276.00095 161.0
[M+NH4]+ 271.04555 156.1
[M+K]+ 291.97489 156.2
[M-H]- 252.00445 147.1
[M+Na-2H]- 273.98640 154.8
[M]+ 253.01118 151.4
[M]- 253.01228 151.4
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.