CID 2734196

1,3-dibromo-2,2-dimethoxypropane

Structural Information

Molecular Formula
C5H10Br2O2
SMILES
COC(CBr)(CBr)OC
InChI
InChI=1S/C5H10Br2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3
InChIKey
CPAHOXOBYHMHDT-UHFFFAOYSA-N
Compound name
1,3-dibromo-2,2-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

259.90475 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.91203 136.7
[M+Na]+ 282.89397 147.5
[M-H]- 258.89747 140.9
[M+NH4]+ 277.93857 157.1
[M+K]+ 298.86791 133.0
[M+H-H2O]+ 242.90201 144.9
[M+HCOO]- 304.90295 152.0
[M+CH3COO]- 318.91860 197.9
[M+Na-2H]- 280.87942 145.1
[M]+ 259.90420 172.6
[M]- 259.90530 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.