CID 552070

2-(1-bromoethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C5H9BrO2
SMILES
CC(C1OCCO1)Br
InChI
InChI=1S/C5H9BrO2/c1-4(6)5-7-2-3-8-5/h4-5H,2-3H2,1H3
InChIKey
ZMASOHJVZRWBCX-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

179.97859 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98587 134.5
[M+Na]+ 202.96781 144.6
[M-H]- 178.97131 141.5
[M+NH4]+ 198.01241 156.9
[M+K]+ 218.94175 138.2
[M+H-H2O]+ 162.97585 135.6
[M+HCOO]- 224.97679 153.3
[M+CH3COO]- 238.99244 176.1
[M+Na-2H]- 200.95326 141.8
[M]+ 179.97804 152.6
[M]- 179.97914 152.6
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