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	137.5
[M+Na]+	225.02889	148.0
[M-H]-	201.03239	140.7
[M+NH4]+	220.07349	157.8
[M+K]+	241.00283	144.9
[M+H-H2O]+	185.03693	133.4
[M+HCOO]-	247.03787	156.8
[M+CH3COO]-	261.05352	182.1
[M+Na-2H]-	223.01434	142.9
[M]+	202.03912	143.1
[M]-	202.04022	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe