CID 58488766

648898-32-2

Structural Information

Molecular Formula
C17H27Br3O6
SMILES
CC(C)(C(=O)OCC(C)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br)Br
InChI
InChI=1S/C17H27Br3O6/c1-14(2,18)11(21)24-8-17(7,9-25-12(22)15(3,4)19)10-26-13(23)16(5,6)20/h8-10H2,1-7H3
InChIKey
VLRDGSDXAISNJF-UHFFFAOYSA-N
Compound name
[3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

563.9358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.94308 175.1
[M+Na]+ 586.92502 165.8
[M+NH4]+ 581.96962 174.2
[M+K]+ 602.89896 175.2
[M-H]- 562.92852 174.3
[M+Na-2H]- 584.91047 173.5
[M]+ 563.93525 173.2
[M]- 563.93635 173.2
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