CID 53393182

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

Structural Information

Molecular Formula

C₇H₅BrF₃NO

SMILES

COC1=C(C=C(C=N1)Br)C(F)(F)F

InChI

InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3

InChIKey

ZIOFHXRZJCIBCO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 254.95065 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.95793	154.1
[M+Na]+	277.93987	155.9
[M+NH4]+	272.98447	156.7
[M+K]+	293.91381	155.9
[M-H]-	253.94337	150.1
[M+Na-2H]-	275.92532	155.4
[M]+	254.95010	152.0
[M]-	254.95120	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe