CID 44839

63867-08-3

Structural Information

Molecular Formula
C8H12Br4O2
SMILES
CCC(CC)(C(=O)OCC(Br)(Br)Br)Br
InChI
InChI=1S/C8H12Br4O2/c1-3-7(9,4-2)6(13)14-5-8(10,11)12/h3-5H2,1-2H3
InChIKey
CUWZHNSIPTVXMT-UHFFFAOYSA-N
Compound name
2,2,2-tribromoethyl 2-bromo-2-ethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.75708 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.76436 166.8
[M+Na]+ 478.74630 172.9
[M-H]- 454.74980 169.6
[M+NH4]+ 473.79090 176.8
[M+K]+ 494.72024 158.7
[M+H-H2O]+ 438.75434 184.0
[M+HCOO]- 500.75528 170.7
[M+CH3COO]- 514.77093 236.3
[M+Na-2H]- 476.73175 168.2
[M]+ 455.75653 205.1
[M]- 455.75763 205.1
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.