CID 228695

Decyl 2-bromoacetate

Structural Information

Molecular Formula
C12H23BrO2
SMILES
CCCCCCCCCCOC(=O)CBr
InChI
InChI=1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h2-11H2,1H3
InChIKey
OMRFZIDOMSMRSP-UHFFFAOYSA-N
Compound name
decyl 2-bromoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

278.08813 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09541 162.1
[M+Na]+ 301.07735 170.5
[M-H]- 277.08085 164.1
[M+NH4]+ 296.12195 182.0
[M+K]+ 317.05129 159.6
[M+H-H2O]+ 261.08539 161.6
[M+HCOO]- 323.08633 181.1
[M+CH3COO]- 337.10198 198.0
[M+Na-2H]- 299.06280 165.7
[M]+ 278.08758 185.1
[M]- 278.08868 185.1
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