CID 15217845

Methyl 2-bromo-6-(trifluoromethyl)nicotinate

Structural Information

Molecular Formula
C8H5BrF3NO2
SMILES
COC(=O)C1=C(N=C(C=C1)C(F)(F)F)Br
InChI
InChI=1S/C8H5BrF3NO2/c1-15-7(14)4-2-3-5(8(10,11)12)13-6(4)9/h2-3H,1H3
InChIKey
PEEBGPINNABOSD-UHFFFAOYSA-N
Compound name
methyl 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

282.9456 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.95288 159.1
[M+Na]+ 305.93482 160.1
[M+NH4]+ 300.97942 160.7
[M+K]+ 321.90876 160.9
[M-H]- 281.93832 154.3
[M+Na-2H]- 303.92027 159.5
[M]+ 282.94505 156.5
[M]- 282.94615 156.5
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