CID 21914342

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

Structural Information

Molecular Formula
C7H6BrF2NO
SMILES
C1=CC(=NC=C1Br)OCC(F)F
InChI
InChI=1S/C7H6BrF2NO/c8-5-1-2-7(11-3-5)12-4-6(9)10/h1-3,6H,4H2
InChIKey
XSHZGHVZPLZCIL-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,2-difluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

236.96008 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.967356 139.4
[M+Na]+ 259.949298 151.5
[M-H]- 235.952804 142.1
[M+NH4]+ 254.993903 159.6
[M+K]+ 275.923238 140.9
[M+H-H2O]+ 219.957340 137.5
[M+HCOO]- 281.958281 158.2
[M+CH3COO]- 295.973931 187.6
[M+Na-2H]- 257.934746 146.5
[M]+ 236.95953142 156.7
[M]- 236.96062858 156.7
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