CID 12742598

35106-84-4

Structural Information

Molecular Formula

C₉H₁₀Br₂

SMILES

CC(C1=CC=CC=C1CBr)Br

InChI

InChI=1S/C9H10Br2/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5,7H,6H2,1H3

InChIKey

ZDIIQBBHSCTBSA-UHFFFAOYSA-N

Compound name

1-(1-bromoethyl)-2-(bromomethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 275.91492 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]+	276.92220	139.8
[M+Na]+	298.90414	150.2
[M-H]-	274.90764	146.5
[M+NH4]+	293.94874	159.8
[M+K]+	314.87808	135.1
[M+H-H2O]+	258.91218	148.2
[M+HCOO]-	320.91312	155.6
[M+CH3COO]-	334.92877	201.6
[M+Na-2H]-	296.88959	146.7
[M]+	275.91437	173.4
[M]-	275.91547	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe