CID 2773612

159217-89-7

Structural Information

Molecular Formula

C₁₁H₁₄INO₂

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)I

InChI

InChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)

InChIKey

CGALRQWBJFDAKN-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-iodophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 319.00693 Da
Monoisotopic Mass: 4.1
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]+	320.01421	160.6
[M+Na]+	341.99615	163.7
[M+NH4]+	337.04075	163.5
[M+K]+	357.97009	161.6
[M-H]-	317.99965	155.6
[M+Na-2H]-	339.98160	153.3
[M]+	319.00638	158.4
[M]-	319.00748	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe