CID 13671271

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

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CCC1(OCCO1)CCBr
InChI
InChI=1S/C7H13BrO2/c1-2-7(3-4-8)9-5-6-10-7/h2-6H2,1H3
InChIKey
SQOOQLYZDIWWBP-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-2-ethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.00989 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 139.7
[M+Na]+ 230.99911 150.1
[M-H]- 207.00261 146.7
[M+NH4]+ 226.04371 163.1
[M+K]+ 246.97305 143.1
[M+H-H2O]+ 191.00715 141.5
[M+HCOO]- 253.00809 158.9
[M+CH3COO]- 267.02374 180.5
[M+Na-2H]- 228.98456 148.5
[M]+ 208.00934 159.6
[M]- 208.01044 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe