CID 133097895

1807121-89-6

Structural Information

Molecular Formula
C10H9BrF3NO2
SMILES
CCOC(=O)CC1=NC(=CC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C10H9BrF3NO2/c1-2-17-9(16)5-7-3-6(11)4-8(15-7)10(12,13)14/h3-4H,2,5H2,1H3
InChIKey
OCIOAUGAAIBDGL-UHFFFAOYSA-N
Compound name
ethyl 2-[4-bromo-6-(trifluoromethyl)pyridin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.97687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.98415 159.3
[M+Na]+ 333.96609 171.7
[M-H]- 309.96959 160.9
[M+NH4]+ 329.01069 176.9
[M+K]+ 349.94003 160.3
[M+H-H2O]+ 293.97413 156.4
[M+HCOO]- 355.97507 174.9
[M+CH3COO]- 369.99072 199.8
[M+Na-2H]- 331.95154 164.0
[M]+ 310.97632 176.7
[M]- 310.97742 176.7
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.