CID 2774402

2,6-dibromo-4-n-propylaniline

Structural Information

Molecular Formula

C₉H₁₁Br₂N

SMILES

CCCC1=CC(=C(C(=C1)Br)N)Br

InChI

InChI=1S/C9H11Br2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3

InChIKey

DTMCGFMOLUVBPL-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-propylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 290.9258 Da
Monoisotopic Mass: 4.0
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]+	291.93308	149.9
[M+Na]+	313.91502	145.2
[M+NH4]+	308.95962	152.2
[M+K]+	329.88896	150.9
[M-H]-	289.91852	151.3
[M+Na-2H]-	311.90047	151.4
[M]+	290.92525	148.5
[M]-	290.92635	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe