CID 36864

4-tert-butyl-2,6-dichlorophenol

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂O

SMILES

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

InChI

InChI=1S/C10H12Cl2O/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,1-3H3

InChIKey

RETRALMQVUXTPQ-UHFFFAOYSA-N

Compound name

4-tert-butyl-2,6-dichlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 218.02652 Da
Monoisotopic Mass: 4.5
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]+	219.03380	144.6
[M+Na]+	241.01574	159.5
[M+NH4]+	236.06034	153.8
[M+K]+	256.98968	152.2
[M-H]-	217.01924	146.3
[M+Na-2H]-	239.00119	151.3
[M]+	218.02597	148.0
[M]-	218.02707	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe