CID 92042961

3-bromo-2-(trifluoromethoxy)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.93501 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94229 139.7
[M+Na]+ 263.92423 152.9
[M-H]- 239.92773 141.5
[M+NH4]+ 258.96883 159.8
[M+K]+ 279.89817 142.1
[M+H-H2O]+ 223.93227 137.6
[M+HCOO]- 285.93321 157.1
[M+CH3COO]- 299.94886 186.3
[M+Na-2H]- 261.90968 148.3
[M]+ 240.93446 155.4
[M]- 240.93556 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