CID 21521

5414-19-7

Structural Information

Molecular Formula
C4H8Br2O
SMILES
C(CBr)OCCBr
InChI
InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
InChIKey
FOZVXADQAHVUSV-UHFFFAOYSA-N
Compound name
1-bromo-2-(2-bromoethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7738
Patents

229.8942 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe