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]+ 237.96736 139.4
[M+Na]+ 259.94930 151.5
[M-H]- 235.95280 142.1
[M+NH4]+ 254.99390 159.6
[M+K]+ 275.92324 140.9
[M+H-H2O]+ 219.95734 137.5
[M+HCOO]- 281.95828 158.2
[M+CH3COO]- 295.97393 187.6
[M+Na-2H]- 257.93475 146.5
[M]+ 236.95953 156.7
[M]- 236.96063 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