CID 154814246

2551118-35-3

Structural Information

Molecular Formula
C10H16Br2O3
SMILES
CCOC(=O)C(C1(CCC1)OCCBr)Br
InChI
InChI=1S/C10H16Br2O3/c1-2-14-9(13)8(12)10(4-3-5-10)15-7-6-11/h8H,2-7H2,1H3
InChIKey
QABJLFIKZUCIBK-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-2-[1-(2-bromoethoxy)cyclobutyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.94662 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.95390 143.9
[M+Na]+ 364.93584 151.3
[M-H]- 340.93934 149.8
[M+NH4]+ 359.98044 157.9
[M+K]+ 380.90978 139.7
[M+H-H2O]+ 324.94388 148.5
[M+HCOO]- 386.94482 156.9
[M+CH3COO]- 400.96047 210.8
[M+Na-2H]- 362.92129 149.3
[M]+ 341.94607 185.0
[M]- 341.94717 185.0
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

No patent data available for this compound.