CID 15590446

2-(4-chlorophenyl)butan-2-ol

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

CCC(C)(C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C10H13ClO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h4-7,12H,3H2,1-2H3

InChIKey

IACNUIYMPFGNAN-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 184.06549 Da
Monoisotopic Mass: 2.8
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	138.4
[M+Na]+	207.05471	152.1
[M+NH4]+	202.09931	147.7
[M+K]+	223.02865	145.2
[M-H]-	183.05821	140.3
[M+Na-2H]-	205.04016	145.7
[M]+	184.06494	141.3
[M]-	184.06604	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe