CID 45789627

2-bromo-5-(trifluoromethoxy)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
Patents

240.93501 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.942286 139.7
[M+Na]+ 263.924228 152.9
[M-H]- 239.927734 141.5
[M+NH4]+ 258.968833 159.8
[M+K]+ 279.898168 142.1
[M+H-H2O]+ 223.932270 137.6
[M+HCOO]- 285.933211 157.1
[M+CH3COO]- 299.948861 186.3
[M+Na-2H]- 261.909676 148.3
[M]+ 240.93446142 155.4
[M]- 240.93555858 155.4
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

patents stripe