CID 46700

64047-47-8

Structural Information

Molecular Formula
C7H10Br4O2
SMILES
CC(C)C(C(=O)OCC(Br)(Br)Br)Br
InChI
InChI=1S/C7H10Br4O2/c1-4(2)5(8)6(12)13-3-7(9,10)11/h4-5H,3H2,1-2H3
InChIKey
OSZOQLCMBZVJQQ-UHFFFAOYSA-N
Compound name
2,2,2-tribromoethyl 2-bromo-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.74142 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.74870 162.2
[M+Na]+ 464.73064 168.1
[M-H]- 440.73414 165.1
[M+NH4]+ 459.77524 172.3
[M+K]+ 480.70458 154.2
[M+H-H2O]+ 424.73868 179.4
[M+HCOO]- 486.73962 166.2
[M+CH3COO]- 500.75527 235.8
[M+Na-2H]- 462.71609 163.1
[M]+ 441.74087 200.3
[M]- 441.74197 200.3
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

No patent data available for this compound.