CID 84777014

4-chloro-3,5-dimethoxybenzyl alcohol

Structural Information

Molecular Formula

C₉H₁₁ClO₃

SMILES

COC1=CC(=CC(=C1Cl)OC)CO

InChI

InChI=1S/C9H11ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-4,11H,5H2,1-2H3

InChIKey

NEORIYMPRMFPGM-UHFFFAOYSA-N

Compound name

(4-chloro-3,5-dimethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 202.03967 Da
Monoisotopic Mass: 1.6
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]+	203.04695	137.8
[M+Na]+	225.02889	151.9
[M+NH4]+	220.07349	146.3
[M+K]+	241.00283	145.4
[M-H]-	201.03239	139.4
[M+Na-2H]-	223.01434	144.3
[M]+	202.03912	140.6
[M]-	202.04022	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe