CID 119003692

2-bromo-3-fluoro-5-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H2BrF4NO
SMILES
C1=C(C=NC(=C1F)Br)OC(F)(F)F
InChI
InChI=1S/C6H2BrF4NO/c7-5-4(8)1-3(2-12-5)13-6(9,10)11/h1-2H
InChIKey
ZBMNBJSTGADQIC-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoro-5-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.93288 143.2
[M+Na]+ 281.91482 157.3
[M-H]- 257.91832 144.0
[M+NH4]+ 276.95942 162.7
[M+K]+ 297.88876 146.0
[M+H-H2O]+ 241.92286 140.2
[M+HCOO]- 303.92380 159.5
[M+CH3COO]- 317.93945 190.1
[M+Na-2H]- 279.90027 150.3
[M]+ 258.92505 157.9
[M]- 258.92615 157.9
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.