CID 58042448

2-bromo-3-(difluoromethoxy)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

222.94443 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.951706 134.7
[M+Na]+ 245.933648 147.2
[M-H]- 221.937154 137.6
[M+NH4]+ 240.978253 155.4
[M+K]+ 261.907588 136.9
[M+H-H2O]+ 205.941690 133.0
[M+HCOO]- 267.942631 153.8
[M+CH3COO]- 281.958281 184.8
[M+Na-2H]- 243.919096 142.4
[M]+ 222.94388142 151.6
[M]- 222.94497858 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