CID 11458263

2-bromoethyl ethyl carbonate

Structural Information

Molecular Formula
C5H9BrO3
SMILES
CCOC(=O)OCCBr
InChI
InChI=1S/C5H9BrO3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3
InChIKey
CYYNKJKYWYSECY-UHFFFAOYSA-N
Compound name
2-bromoethyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.97351 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98079 133.3
[M+Na]+ 218.96273 134.3
[M+NH4]+ 214.00733 137.1
[M+K]+ 234.93667 135.6
[M-H]- 194.96623 130.8
[M+Na-2H]- 216.94818 133.9
[M]+ 195.97296 131.3
[M]- 195.97406 131.3
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