CID 4130330

99187-90-3

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

CC1=CC(=C(C(=C1CCl)C)O)C

InChI

InChI=1S/C10H13ClO/c1-6-4-7(2)10(12)8(3)9(6)5-11/h4,12H,5H2,1-3H3

InChIKey

VBICPCDXWOGCSQ-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-2,4,6-trimethylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 184.06549 Da
Monoisotopic Mass: 3.0
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]+	185.07277	136.2
[M+Na]+	207.05471	151.4
[M+NH4]+	202.09931	145.7
[M+K]+	223.02865	143.8
[M-H]-	183.05821	138.9
[M+Na-2H]-	205.04016	143.1
[M]+	184.06494	139.6
[M]-	184.06604	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe