CID 68278955

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

Structural Information

Molecular Formula
C8H7BrF3NO
SMILES
C1=CC(=NC=C1CBr)OCC(F)(F)F
InChI
InChI=1S/C8H7BrF3NO/c9-3-6-1-2-7(13-4-6)14-5-8(10,11)12/h1-2,4H,3,5H2
InChIKey
BNPIMUVHBBOWQL-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.9663 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97358 158.1
[M+Na]+ 291.95552 159.4
[M+NH4]+ 287.00012 160.5
[M+K]+ 307.92946 159.0
[M-H]- 267.95902 154.0
[M+Na-2H]- 289.94097 159.3
[M]+ 268.96575 155.8
[M]- 268.96685 155.8
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