CID 28296156

4-(4-bromophenyl)butan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₃BrO

SMILES

C1=CC(=CC=C1CCCCO)Br

InChI

InChI=1S/C10H13BrO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2

InChIKey

NDWAJMWJTWOGFN-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 228.01498 Da
Monoisotopic Mass: 2.7
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]+	229.022256	143.3
[M+Na]+	251.004198	153.9
[M-H]-	227.007704	148.1
[M+NH4]+	246.048803	164.6
[M+K]+	266.978138	142.3
[M+H-H2O]+	211.012240	143.6
[M+HCOO]-	273.013181	163.7
[M+CH3COO]-	287.028831	185.3
[M+Na-2H]-	248.989646	150.6
[M]+	228.01443142	162.0
[M]-	228.01552858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe