CID 13259417

2-(4-chlorophenoxy)propan-1-ol

Structural Information

Molecular Formula

C₉H₁₁ClO₂

SMILES

CC(CO)OC1=CC=C(C=C1)Cl

InChI

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

InChIKey

ULXGJWWZHKJAMQ-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 186.04475 Da
Monoisotopic Mass: 2.3
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	135.9
[M+Na]+	209.03397	149.3
[M+NH4]+	204.07857	144.8
[M+K]+	225.00791	142.7
[M-H]-	185.03747	137.7
[M+Na-2H]-	207.01942	142.8
[M]+	186.04420	138.6
[M]-	186.04530	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe