CID 20029093

3-fluoro-2-iodoaniline

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

WFIMPUNNSNCOAZ-UHFFFAOYSA-N

Compound name

3-fluoro-2-iodoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
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]+	237.95235	132.5
[M+Na]+	259.93429	137.3
[M+NH4]+	254.97889	137.0
[M+K]+	275.90823	134.2
[M-H]-	235.93779	128.2
[M+Na-2H]-	257.91974	127.0
[M]+	236.94452	130.8
[M]-	236.94562	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe