CID 22391964

5-bromo-2-(2,2,2-trifluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
C1=CC(=NC=C1Br)OCC(F)(F)F
InChI
InChI=1S/C7H5BrF3NO/c8-5-1-2-6(12-3-5)13-4-7(9,10)11/h1-3H,4H2
InChIKey
JSYQQBQGDIUUFS-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

254.95065 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.957926 144.4
[M+Na]+ 277.939868 157.3
[M-H]- 253.943374 146.1
[M+NH4]+ 272.984473 164.0
[M+K]+ 293.913808 146.2
[M+H-H2O]+ 237.947910 142.1
[M+HCOO]- 299.948851 161.5
[M+CH3COO]- 313.964501 189.2
[M+Na-2H]- 275.925316 152.4
[M]+ 254.95010142 160.5
[M]- 254.95119858 160.5
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