CID 25418460

2-fluoro-5-iodoaniline

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H5FIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2

InChIKey

XNFXQUHUFXJVSV-UHFFFAOYSA-N

Compound name

2-fluoro-5-iodoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 236.94507 Da
Monoisotopic Mass: 2.0
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]+	237.952346	131.9
[M+Na]+	259.934288	134.2
[M-H]-	235.937794	127.6
[M+NH4]+	254.978893	148.8
[M+K]+	275.908228	137.8
[M+H-H2O]+	219.942330	122.3
[M+HCOO]-	281.943271	151.3
[M+CH3COO]-	295.958921	183.1
[M+Na-2H]-	257.919736	126.2
[M]+	236.94452142	126.3
[M]-	236.94561858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe