CID 4263567

10160-86-8

Structural Information

Molecular Formula

C₇H₁₄Br₂O₂

SMILES

CCOC(C(CBr)Br)OCC

InChI

InChI=1S/C7H14Br2O2/c1-3-10-7(11-4-2)6(9)5-8/h6-7H,3-5H2,1-2H3

InChIKey

DVTLFBDHZBBAET-UHFFFAOYSA-N

Compound name

2,3-dibromo-1,1-diethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 287.93604 Da
Monoisotopic Mass: 2.4
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]+	288.94332	144.6
[M+Na]+	310.92526	153.9
[M-H]-	286.92876	148.3
[M+NH4]+	305.96986	163.9
[M+K]+	326.89920	139.4
[M+H-H2O]+	270.93330	152.0
[M+HCOO]-	332.93424	158.9
[M+CH3COO]-	346.94989	203.4
[M+Na-2H]-	308.91071	149.6
[M]+	287.93549	180.4
[M]-	287.93659	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe