CID 101401

7285-77-0

Structural Information

Molecular Formula

C₁₂H₁₀IN

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)I)N

InChI

InChI=1S/C12H10IN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2

InChIKey

MSHUACKEOWOIGP-UHFFFAOYSA-N

Compound name

4-(4-iodophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 294.9858 Da
Monoisotopic Mass: 4.0
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]+	295.99308	151.0
[M+Na]+	317.97502	152.0
[M-H]-	293.97852	150.1
[M+NH4]+	313.01962	165.1
[M+K]+	333.94896	153.8
[M+H-H2O]+	277.98306	140.4
[M+HCOO]-	339.98400	170.7
[M+CH3COO]-	353.99965	193.6
[M+Na-2H]-	315.96047	145.3
[M]+	294.98525	145.9
[M]-	294.98635	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe