CID 71669526

6-bromo-2,4-dichloro-3-fluoroaniline

Structural Information

Molecular Formula

C₆H₃BrCl₂FN

SMILES

C1=C(C(=C(C(=C1Br)N)Cl)F)Cl

InChI

InChI=1S/C6H3BrCl2FN/c7-2-1-3(8)5(10)4(9)6(2)11/h1H,11H2

InChIKey

BMJSXDVLJRTVSG-UHFFFAOYSA-N

Compound name

6-bromo-2,4-dichloro-3-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 256.881 Da
Monoisotopic Mass: 3.3
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]+	257.88828	138.1
[M+Na]+	279.87022	154.0
[M-H]-	255.87372	143.1
[M+NH4]+	274.91482	160.3
[M+K]+	295.84416	139.1
[M+H-H2O]+	239.87826	139.4
[M+HCOO]-	301.87920	151.0
[M+CH3COO]-	315.89485	192.1
[M+Na-2H]-	277.85567	143.6
[M]+	256.88045	156.6
[M]-	256.88155	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe