CID 66521185

3-(4-bromophenyl)tetrahydrofuran

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1COCC1C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H11BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9H,5-7H2

InChIKey

JAVFDQBREKPGPG-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 225.99933 Da
Monoisotopic Mass: 2.6
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]+	227.006606	144.8
[M+Na]+	248.988548	155.3
[M-H]-	224.992054	154.4
[M+NH4]+	244.033153	166.9
[M+K]+	264.962488	146.1
[M+H-H2O]+	208.996590	145.4
[M+HCOO]-	270.997531	165.4
[M+CH3COO]-	285.013181	160.2
[M+Na-2H]-	246.973996	151.3
[M]+	225.99878142	161.6
[M]-	225.99987858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe