CID 14266244

4-(4-chlorophenyl)butan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

C1=CC(=CC=C1CCCCO)Cl

InChI

InChI=1S/C10H13ClO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2

InChIKey

UIXDXDYFMWTCEQ-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 184.06549 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]+	185.07277	137.3
[M+Na]+	207.05471	151.3
[M+NH4]+	202.09931	146.8
[M+K]+	223.02865	143.2
[M-H]-	183.05821	139.8
[M+Na-2H]-	205.04016	144.8
[M]+	184.06494	140.4
[M]-	184.06604	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe