CID 568497

1,1-dibromo-2,2-diethoxyethane

Structural Information

Molecular Formula
C6H12Br2O2
SMILES
CCOC(C(Br)Br)OCC
InChI
InChI=1S/C6H12Br2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3
InChIKey
VPSWMEFJDCZIAC-UHFFFAOYSA-N
Compound name
1,1-dibromo-2,2-diethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

273.9204 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.927676 140.4
[M+Na]+ 296.909618 150.0
[M-H]- 272.913124 144.3
[M+NH4]+ 291.954223 160.1
[M+K]+ 312.883558 135.8
[M+H-H2O]+ 256.917660 148.0
[M+HCOO]- 318.918601 155.1
[M+CH3COO]- 332.934251 201.1
[M+Na-2H]- 294.895066 145.9
[M]+ 273.91985142 175.9
[M]- 273.92094858 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe