CID 5386777

Cis-2-bromovinyl ethyl ether

Structural Information

Molecular Formula
C4H7BrO
SMILES
CCO/C=C\Br
InChI
InChI=1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3/b4-3-
InChIKey
BCFCTTHZFYZOHT-ARJAWSKDSA-N
Compound name
(Z)-1-bromo-2-ethoxyethene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

149.96803 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 121.5
[M+Na]+ 172.95725 133.5
[M-H]- 148.96075 125.0
[M+NH4]+ 168.00185 146.4
[M+K]+ 188.93119 123.9
[M+H-H2O]+ 132.96529 122.9
[M+HCOO]- 194.96623 143.9
[M+CH3COO]- 208.98188 172.9
[M+Na-2H]- 170.94270 130.9
[M]+ 149.96748 141.1
[M]- 149.96858 141.1
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