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

442
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

literature stripe

Patent stripe

patents stripe