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]+ 269.973576 149.1
[M+Na]+ 291.955518 161.6
[M-H]- 267.959024 150.6
[M+NH4]+ 287.000123 168.2
[M+K]+ 307.929458 150.2
[M+H-H2O]+ 251.963560 146.6
[M+HCOO]- 313.964501 165.9
[M+CH3COO]- 327.980151 192.0
[M+Na-2H]- 289.940966 156.6
[M]+ 268.96575142 165.5
[M]- 268.96684858 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