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 132.2
[M+Na]+ 218.96273 143.3
[M-H]- 194.96623 135.4
[M+NH4]+ 214.00733 155.2
[M+K]+ 234.93667 134.7
[M+H-H2O]+ 178.97077 132.8
[M+HCOO]- 240.97171 153.7
[M+CH3COO]- 254.98736 179.5
[M+Na-2H]- 216.94818 139.6
[M]+ 195.97296 154.0
[M]- 195.97406 154.0
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