CID 136551

705-82-8

Structural Information

Molecular Formula

C₉H₁₁ClO₂

SMILES

CC1=C(C=CC(=C1)OCCO)Cl

InChI

InChI=1S/C9H11ClO2/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6,11H,4-5H2,1H3

InChIKey

ZQGKWFAIEHHYGU-UHFFFAOYSA-N

Compound name

2-(4-chloro-3-methylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 186.04475 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]+	187.05203	135.2
[M+Na]+	209.03397	149.4
[M+NH4]+	204.07857	144.3
[M+K]+	225.00791	142.2
[M-H]-	185.03747	137.3
[M+Na-2H]-	207.01942	142.3
[M]+	186.04420	138.2
[M]-	186.04530	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe