CID 145033

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

Structural Information

Molecular Formula

C₇H₆Br₂ClN

SMILES

CC1=CC(=C(C(=C1Cl)Br)N)Br

InChI

InChI=1S/C7H6Br2ClN/c1-3-2-4(8)7(11)5(9)6(3)10/h2H,11H2,1H3

InChIKey

XBSGYHXODZBFBM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 296.85556 Da
Monoisotopic Mass: 3.6
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]+	297.862836	139.7
[M+Na]+	319.844778	153.1
[M-H]-	295.848284	146.6
[M+NH4]+	314.889383	159.7
[M+K]+	335.818718	135.1
[M+H-H2O]+	279.852820	147.8
[M+HCOO]-	341.853761	153.1
[M+CH3COO]-	355.869411	204.9
[M+Na-2H]-	317.830226	145.6
[M]+	296.85501142	173.7
[M]-	296.85610858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe