CID 13780200

2-(4-bromobutyl)-1,3-dioxolane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
C1COC(O1)CCCCBr
InChI
InChI=1S/C7H13BrO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2
InChIKey
UQTZEBQZCBQLAN-UHFFFAOYSA-N
Compound name
2-(4-bromobutyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
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 142.8
[M+Na]+ 230.99911 152.3
[M-H]- 207.00261 149.3
[M+NH4]+ 226.04371 164.2
[M+K]+ 246.97305 145.1
[M+H-H2O]+ 191.00715 143.5
[M+HCOO]- 253.00809 161.9
[M+CH3COO]- 267.02374 180.9
[M+Na-2H]- 228.98456 150.2
[M]+ 208.00934 162.2
[M]- 208.01044 162.2
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