CID 10171590

4-(tert-butyl)-2-iodophenol

Structural Information

Molecular Formula

C₁₀H₁₃IO

SMILES

CC(C)(C)C1=CC(=C(C=C1)O)I

InChI

InChI=1S/C10H13IO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3

InChIKey

DTNQNHHVSJPDSG-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 276.0011 Da
Monoisotopic Mass: 3.9
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]+	277.00838	146.5
[M+Na]+	298.99032	151.7
[M+NH4]+	294.03492	150.8
[M+K]+	314.96426	149.0
[M-H]-	274.99382	142.0
[M+Na-2H]-	296.97577	140.3
[M]+	276.00055	145.0
[M]-	276.00165	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe