CID 2761173

1,3-dibromo-5-isopropylbenzene

Structural Information

Molecular Formula

C₉H₁₀Br₂

SMILES

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

InChI

InChI=1S/C9H10Br2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3

InChIKey

NZSDHAXDRSHURO-UHFFFAOYSA-N

Compound name

1,3-dibromo-5-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 275.91492 Da
Monoisotopic Mass: 4.4
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]+	276.92220	143.1
[M+Na]+	298.90414	139.0
[M+NH4]+	293.94874	145.8
[M+K]+	314.87808	145.0
[M-H]-	274.90764	144.4
[M+Na-2H]-	296.88959	145.4
[M]+	275.91437	141.9
[M]-	275.91547	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe