CID 79900

2-(4-chloro-3,5-xylyloxy)ethanol

Structural Information

Molecular Formula

C₁₀H₁₃ClO₂

SMILES

CC1=CC(=CC(=C1Cl)C)OCCO

InChI

InChI=1S/C10H13ClO2/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6,12H,3-4H2,1-2H3

InChIKey

UZXFXOSXXYLVMI-UHFFFAOYSA-N

Compound name

2-(4-chloro-3,5-dimethylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2333
Patents: 200.06041 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]+	201.06769	139.4
[M+Na]+	223.04963	149.6
[M-H]-	199.05313	142.4
[M+NH4]+	218.09423	159.8
[M+K]+	239.02357	145.7
[M+H-H2O]+	183.05767	135.3
[M+HCOO]-	245.05861	158.1
[M+CH3COO]-	259.07426	183.0
[M+Na-2H]-	221.03508	144.2
[M]+	200.05986	143.9
[M]-	200.06096	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe