CID 59108568

3-bromo-5-(difluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H4BrF2NO
SMILES
C1=C(C=NC=C1Br)OC(F)F
InChI
InChI=1S/C6H4BrF2NO/c7-4-1-5(3-10-2-4)11-6(8)9/h1-3,6H
InChIKey
PGQKUYBGLPHSLA-UHFFFAOYSA-N
Compound name
3-bromo-5-(difluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

222.94443 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.95171 134.7
[M+Na]+ 245.93365 147.2
[M-H]- 221.93715 137.6
[M+NH4]+ 240.97825 155.4
[M+K]+ 261.90759 136.9
[M+H-H2O]+ 205.94169 133.0
[M+HCOO]- 267.94263 153.8
[M+CH3COO]- 281.95828 184.8
[M+Na-2H]- 243.91910 142.4
[M]+ 222.94388 151.6
[M]- 222.94498 151.6
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