CID 58046356

1216072-89-7

Structural Information

Molecular Formula

C₉H₁₁ClO₂

SMILES

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

InChI

InChI=1S/C9H11ClO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3

InChIKey

SZSSGZBQJZZVER-UHFFFAOYSA-N

Compound name

1-(5-chloro-2-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 186.04475 Da
Monoisotopic Mass: 2.0
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	135.5
[M+Na]+	209.03397	149.3
[M+NH4]+	204.07857	144.4
[M+K]+	225.00791	142.9
[M-H]-	185.03747	137.3
[M+Na-2H]-	207.01942	142.2
[M]+	186.04420	138.3
[M]-	186.04530	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe