CID 139184

2,6-dibromo-4-isopropylaniline

Structural Information

Molecular Formula

C₉H₁₁Br₂N

SMILES

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

InChI

InChI=1S/C9H11Br2N/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3

InChIKey

CJEBZUFROMNDEK-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 290.9258 Da
Monoisotopic Mass: 3.7
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	148.2
[M+Na]+	313.91502	143.3
[M+NH4]+	308.95962	150.4
[M+K]+	329.88896	149.6
[M-H]-	289.91852	149.5
[M+Na-2H]-	311.90047	149.6
[M]+	290.92525	146.8
[M]-	290.92635	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe