CID 141113

24443-15-0

Structural Information

Molecular Formula

C₅H₁₀Br₂

SMILES

CC(C)(CCBr)Br

InChI

InChI=1S/C5H10Br2/c1-5(2,7)3-4-6/h3-4H2,1-2H3

InChIKey

XMJFMQSXQQUJTQ-UHFFFAOYSA-N

Compound name

1,3-dibromo-3-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 227.91493 Da
Monoisotopic Mass: 2.7
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]+	228.92221	132.5
[M+Na]+	250.90415	143.7
[M-H]-	226.90765	137.0
[M+NH4]+	245.94875	154.1
[M+K]+	266.87809	128.6
[M+H-H2O]+	210.91219	141.3
[M+HCOO]-	272.91313	147.6
[M+CH3COO]-	286.92878	195.0
[M+Na-2H]-	248.88960	141.0
[M]+	227.91438	166.3
[M]-	227.91548	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe