CID 21414923

Schembl11698337

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂O₂

SMILES

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

InChI

InChI=1S/C10H12Cl2O2/c1-10(2,14-3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,1-3H3

InChIKey

KNEFGIUPHCGYAA-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(2-methoxypropan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 234.02144 Da
Monoisotopic Mass: 3.1
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]+	235.028716	145.2
[M+Na]+	257.010658	156.0
[M-H]-	233.014164	147.8
[M+NH4]+	252.055263	164.7
[M+K]+	272.984598	151.1
[M+H-H2O]+	217.018700	142.3
[M+HCOO]-	279.019641	157.2
[M+CH3COO]-	293.035291	188.1
[M+Na-2H]-	254.996106	150.0
[M]+	234.02089142	150.1
[M]-	234.02198858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe