CID 130088824

3-bromo-4-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H3BrF3NO
SMILES
C1=CN=CC(=C1OC(F)(F)F)Br
InChI
InChI=1S/C6H3BrF3NO/c7-4-3-11-2-1-5(4)12-6(8,9)10/h1-3H
InChIKey
FLSJSUJCGNTMPE-UHFFFAOYSA-N
Compound name
3-bromo-4-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93501 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94229 149.6
[M+Na]+ 263.92423 151.3
[M+NH4]+ 258.96883 152.3
[M+K]+ 279.89817 151.3
[M-H]- 239.92773 145.6
[M+Na-2H]- 261.90968 151.4
[M]+ 240.93446 147.5
[M]- 240.93556 147.5
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.