CID 68612295

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

254.95065 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95793 153.9
[M+Na]+ 277.93987 155.4
[M+NH4]+ 272.98447 156.4
[M+K]+ 293.91381 155.2
[M-H]- 253.94337 149.8
[M+Na-2H]- 275.92532 155.3
[M]+ 254.95010 151.7
[M]- 254.95120 151.7
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

patents stripe