CID 21956535

14573-24-1

Structural Information

Molecular Formula

C₉H₁₀Cl₂O

SMILES

C1=CC(=C(C(=C1)Cl)CCCO)Cl

InChI

InChI=1S/C9H10Cl2O/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5,12H,2-3,6H2

InChIKey

RFSGMWVMSXVTRO-UHFFFAOYSA-N

Compound name

3-(2,6-dichlorophenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 204.01086 Da
Monoisotopic Mass: 3.1
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	138.2
[M+Na]+	227.00008	148.2
[M-H]-	203.00358	140.1
[M+NH4]+	222.04468	158.4
[M+K]+	242.97402	142.4
[M+H-H2O]+	187.00812	134.9
[M+HCOO]-	249.00906	151.8
[M+CH3COO]-	263.02471	181.6
[M+Na-2H]-	224.98553	143.3
[M]+	204.01031	141.3
[M]-	204.01141	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe