CID 20225548

1-bromo-3-(bromomethoxy)propane

Structural Information

Molecular Formula
C4H8Br2O
SMILES
C(COCBr)CBr
InChI
InChI=1S/C4H8Br2O/c5-2-1-3-7-4-6/h1-4H2
InChIKey
CSTADJXRNNEZFU-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.8942 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.90148 127.3
[M+Na]+ 252.88342 138.2
[M-H]- 228.88692 131.5
[M+NH4]+ 247.92802 148.7
[M+K]+ 268.85736 123.6
[M+H-H2O]+ 212.89146 135.7
[M+HCOO]- 274.89240 144.0
[M+CH3COO]- 288.90805 193.9
[M+Na-2H]- 250.86887 136.1
[M]+ 229.89365 162.3
[M]- 229.89475 162.3
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.