CID 18461571

210826-67-8

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1CC(C1)(C2=CC(=CC=C2)Br)O

InChI

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

InChIKey

ABDSPZIVLQFVPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 225.99933 Da
Monoisotopic Mass: 2.4
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	132.9
[M+Na]+	248.988548	143.0
[M-H]-	224.992054	141.0
[M+NH4]+	244.033153	149.9
[M+K]+	264.962488	135.0
[M+H-H2O]+	208.996590	129.8
[M+HCOO]-	270.997531	152.2
[M+CH3COO]-	285.013181	186.3
[M+Na-2H]-	246.973996	141.7
[M]+	225.99878142	157.2
[M]-	225.99987858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe