CID 71305730

4-chloro-2-fluoro-5-iodoaniline

Structural Information

Molecular Formula

SMILES

C1=C(C(=CC(=C1I)Cl)F)N

InChI

InChI=1S/C6H4ClFIN/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,10H2

InChIKey

IZKSEKXKUAKIJZ-UHFFFAOYSA-N

Compound name

4-chloro-2-fluoro-5-iodoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.9061 Da
Monoisotopic Mass: 2.6
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]+	271.91338	135.3
[M+Na]+	293.89532	139.3
[M-H]-	269.89882	131.1
[M+NH4]+	288.93992	152.0
[M+K]+	309.86926	140.9
[M+H-H2O]+	253.90336	126.8
[M+HCOO]-	315.90430	150.5
[M+CH3COO]-	329.91995	187.8
[M+Na-2H]-	291.88077	128.8
[M]+	270.90555	132.0
[M]-	270.90665	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.