CID 110603

68575-35-9

Structural Information

Molecular Formula

C₉H₁₀Cl₂O

SMILES

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

InChI

InChI=1S/C9H10Cl2O/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3

InChIKey

LZJXTXRCENENLT-UHFFFAOYSA-N

Compound name

2-(3,5-dichlorophenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 204.01086 Da
Monoisotopic Mass: 2.9
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]+	205.01814	138.4
[M+Na]+	227.00008	148.9
[M-H]-	203.00358	140.8
[M+NH4]+	222.04468	158.8
[M+K]+	242.97402	143.5
[M+H-H2O]+	187.00812	135.7
[M+HCOO]-	249.00906	150.5
[M+CH3COO]-	263.02471	182.0
[M+Na-2H]-	224.98553	144.3
[M]+	204.01031	141.2
[M]-	204.01141	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe