CID 121591519

5-bromo-3-(difluoromethoxy)-2-fluoropyridine

Structural Information

Molecular Formula
C6H3BrF3NO
SMILES
C1=C(C=NC(=C1OC(F)F)F)Br
InChI
InChI=1S/C6H3BrF3NO/c7-3-1-4(12-6(9)10)5(8)11-2-3/h1-2,6H
InChIKey
RDGMZRNDOOKSBP-UHFFFAOYSA-N
Compound name
5-bromo-3-(difluoromethoxy)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93501 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94229 138.0
[M+Na]+ 263.92423 151.3
[M-H]- 239.92773 139.9
[M+NH4]+ 258.96883 158.1
[M+K]+ 279.89817 140.6
[M+H-H2O]+ 223.93227 135.5
[M+HCOO]- 285.93321 156.0
[M+CH3COO]- 299.94886 188.5
[M+Na-2H]- 261.90968 144.3
[M]+ 240.93446 154.1
[M]- 240.93556 154.1
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

No patent data available for this compound.