CID 345201

75908-77-9

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂O

SMILES

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

InChI

InChI=1S/C11H14Cl2O/c1-4-11(2,3)7-5-8(12)10(14)9(13)6-7/h5-6,14H,4H2,1-3H3

InChIKey

PNVAMJAIDPAKST-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 232.04218 Da
Monoisotopic Mass: 5.0
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]+	233.04946	147.1
[M+Na]+	255.03140	157.6
[M-H]-	231.03490	149.5
[M+NH4]+	250.07600	166.6
[M+K]+	271.00534	151.8
[M+H-H2O]+	215.03944	144.1
[M+HCOO]-	277.04038	158.5
[M+CH3COO]-	291.05603	189.1
[M+Na-2H]-	253.01685	151.2
[M]+	232.04163	150.9
[M]-	232.04273	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe