CID 2736480

3-chloro-2,6-dibromo-4-fluoroaniline

Structural Information

Molecular Formula

C₆H₃Br₂ClFN

SMILES

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

InChI

InChI=1S/C6H3Br2ClFN/c7-2-1-3(10)5(9)4(8)6(2)11/h1H,11H2

InChIKey

PRZBEZGEEPNKRO-UHFFFAOYSA-N

Compound name

2,6-dibromo-3-chloro-4-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 300.83047 Da
Monoisotopic Mass: 3.4
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]+	301.83775	139.6
[M+Na]+	323.81969	153.3
[M-H]-	299.82319	145.6
[M+NH4]+	318.86429	159.5
[M+K]+	339.79363	135.2
[M+H-H2O]+	283.82773	147.2
[M+HCOO]-	345.82867	152.5
[M+CH3COO]-	359.84432	204.6
[M+Na-2H]-	321.80514	145.3
[M]+	300.82992	172.5
[M]-	300.83102	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe