CID 520492

30752-19-3

Structural Information

Molecular Formula

C₁₂H₁₇BrO

SMILES

CCCCCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C12H17BrO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3

InChIKey

GKLMJONYGGTHHM-UHFFFAOYSA-N

Compound name

1-bromo-4-hexoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 256.0463 Da
Monoisotopic Mass: 5.1
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]+	257.05358	151.2
[M+Na]+	279.03552	154.9
[M+NH4]+	274.08012	156.4
[M+K]+	295.00946	153.0
[M-H]-	255.03902	152.3
[M+Na-2H]-	277.02097	154.9
[M]+	256.04575	150.9
[M]-	256.04685	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe