CID 13108534

5836-66-8

Structural Information

Molecular Formula
C4H8Br2O
SMILES
COCC(CBr)Br
InChI
InChI=1S/C4H8Br2O/c1-7-3-4(6)2-5/h4H,2-3H2,1H3
InChIKey
MDLYUXGUUJFBCA-UHFFFAOYSA-N
Compound name
1,2-dibromo-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

229.8942 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.90148 128.8
[M+Na]+ 252.88342 139.5
[M-H]- 228.88692 133.1
[M+NH4]+ 247.92802 150.1
[M+K]+ 268.85736 125.1
[M+H-H2O]+ 212.89146 137.1
[M+HCOO]- 274.89240 144.7
[M+CH3COO]- 288.90805 194.5
[M+Na-2H]- 250.86887 136.5
[M]+ 229.89365 163.3
[M]- 229.89475 163.3
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