CID 80403

Nsc 7112

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

CC(C)(CC1=CC=CC=C1Cl)O

InChI

InChI=1S/C10H13ClO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3

InChIKey

VPCZPZMZROSBOP-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.06549 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]+	185.07277	137.8
[M+Na]+	207.05471	146.6
[M-H]-	183.05821	140.4
[M+NH4]+	202.09931	158.4
[M+K]+	223.02865	142.5
[M+H-H2O]+	167.06275	133.9
[M+HCOO]-	229.06369	154.7
[M+CH3COO]-	243.07934	179.1
[M+Na-2H]-	205.04016	144.6
[M]+	184.06494	139.6
[M]-	184.06604	139.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.