CID 130089312

4-bromo-2-chloro-5-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H2BrClF3NO
SMILES
C1=C(C(=CN=C1Cl)OC(F)(F)F)Br
InChI
InChI=1S/C6H2BrClF3NO/c7-3-1-5(8)12-2-4(3)13-6(9,10)11/h1-2H
InChIKey
IOKJABUEPUCKDS-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-5-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.89603 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.90331 142.5
[M+Na]+ 297.88525 157.5
[M-H]- 273.88875 144.5
[M+NH4]+ 292.92985 162.5
[M+K]+ 313.85919 144.7
[M+H-H2O]+ 257.89329 141.1
[M+HCOO]- 319.89423 155.6
[M+CH3COO]- 333.90988 191.0
[M+Na-2H]- 295.87070 150.2
[M]+ 274.89548 160.4
[M]- 274.89658 160.4
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.