CID 57634177

5-bromo-3-methoxy-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
COC1=C(N=CC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C7H5BrF3NO/c1-13-5-2-4(8)3-12-6(5)7(9,10)11/h2-3H,1H3
InChIKey
PNGHLWFANAWPAO-UHFFFAOYSA-N
Compound name
5-bromo-3-methoxy-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

254.95065 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.957926 143.9
[M+Na]+ 277.939868 157.6
[M-H]- 253.943374 146.0
[M+NH4]+ 272.984473 163.8
[M+K]+ 293.913808 146.6
[M+H-H2O]+ 237.947910 141.8
[M+HCOO]- 299.948851 161.0
[M+CH3COO]- 313.964501 190.2
[M+Na-2H]- 275.925316 151.3
[M]+ 254.95010142 160.3
[M]- 254.95119858 160.3
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