CID 50990647

916814-02-3

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1C(CC1O)C2=CC=C(C=C2)Br

InChI

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

InChIKey

DUZJORQWSPNAKY-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 225.99933 Da
Monoisotopic Mass: 2.5
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	132.2
[M+Na]+	248.988548	142.2
[M-H]-	224.992054	140.2
[M+NH4]+	244.033153	147.6
[M+K]+	264.962488	134.2
[M+H-H2O]+	208.996590	128.1
[M+HCOO]-	270.997531	151.4
[M+CH3COO]-	285.013181	187.8
[M+Na-2H]-	246.973996	139.4
[M]+	225.99878142	156.3
[M]-	225.99987858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe