CID 10214726

2-(tert-butyl)-4-iodophenol

Structural Information

Molecular Formula

C₁₀H₁₃IO

SMILES

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

InChI

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

InChIKey

RIKUIHNAPBRUOR-UHFFFAOYSA-N

Compound name

2-tert-butyl-4-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
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	146.8
[M+Na]+	298.99032	148.3
[M-H]-	274.99382	142.7
[M+NH4]+	294.03492	162.4
[M+K]+	314.96426	151.9
[M+H-H2O]+	258.99836	138.6
[M+HCOO]-	320.99930	162.9
[M+CH3COO]-	335.01495	187.2
[M+Na-2H]-	296.97577	140.5
[M]+	276.00055	144.3
[M]-	276.00165	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe