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]+ 230.901476 127.3
[M+Na]+ 252.883418 138.2
[M-H]- 228.886924 131.5
[M+NH4]+ 247.928023 148.7
[M+K]+ 268.857358 123.6
[M+H-H2O]+ 212.891460 135.7
[M+HCOO]- 274.892401 144.0
[M+CH3COO]- 288.908051 193.9
[M+Na-2H]- 250.868866 136.1
[M]+ 229.89365142 162.3
[M]- 229.89474858 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

patents stripe