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 149.1
[M+Na]+ 291.95552 161.6
[M-H]- 267.95902 150.6
[M+NH4]+ 287.00012 168.2
[M+K]+ 307.92946 150.2
[M+H-H2O]+ 251.96356 146.6
[M+HCOO]- 313.96450 165.9
[M+CH3COO]- 327.98015 192.0
[M+Na-2H]- 289.94097 156.6
[M]+ 268.96575 165.5
[M]- 268.96685 165.5
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