CID 3118927

1-bromo-2-(trifluoromethyl)naphthalene

Structural Information

Molecular Formula

C₁₁H₆BrF₃

SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)C(F)(F)F

InChI

InChI=1S/C11H6BrF3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13,14)15/h1-6H

InChIKey

RFOANEAFTSCOBB-UHFFFAOYSA-N

Compound name

1-bromo-2-(trifluoromethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.9605 Da
Monoisotopic Mass: 4.7
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]+	274.96778	153.3
[M+Na]+	296.94972	166.6
[M+NH4]+	291.99432	157.2
[M+K]+	312.92366	174.5
[M-H]-	272.95322	154.1
[M+Na-2H]-	294.93517	151.6
[M]+	273.95995	170.0
[M]-	273.96105	194.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.