CID 11832318

2-(8-bromooctyl)-1,3-dioxolane

Structural Information

Molecular Formula
C11H21BrO2
SMILES
C1COC(O1)CCCCCCCCBr
InChI
InChI=1S/C11H21BrO2/c12-8-6-4-2-1-3-5-7-11-13-9-10-14-11/h11H,1-10H2
InChIKey
WJIZUNSRMNMEPR-UHFFFAOYSA-N
Compound name
2-(8-bromooctyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

264.07248 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.079756 161.6
[M+Na]+ 287.061698 169.5
[M-H]- 263.065204 167.4
[M+NH4]+ 282.106303 180.9
[M+K]+ 303.035638 161.2
[M+H-H2O]+ 247.069740 161.5
[M+HCOO]- 309.070681 179.4
[M+CH3COO]- 323.086331 192.2
[M+Na-2H]- 285.047146 166.8
[M]+ 264.07193142 182.3
[M]- 264.07302858 182.3
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