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

17
Patents

208.00989 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017166 139.7
[M+Na]+ 230.999108 150.1
[M-H]- 207.002614 146.7
[M+NH4]+ 226.043713 163.1
[M+K]+ 246.973048 143.1
[M+H-H2O]+ 191.007150 141.5
[M+HCOO]- 253.008091 158.9
[M+CH3COO]- 267.023741 180.5
[M+Na-2H]- 228.984556 148.5
[M]+ 208.00934142 159.6
[M]- 208.01043858 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