CID 94635

2-hydroxyethyl 2,3-dibromopropanoate

Structural Information

Molecular Formula
C5H8Br2O3
SMILES
C(COC(=O)C(CBr)Br)O
InChI
InChI=1S/C5H8Br2O3/c6-3-4(7)5(9)10-2-1-8/h4,8H,1-3H2
InChIKey
FODLZNVVRJLINF-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2,3-dibromopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

273.88403 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.89131 137.6
[M+Na]+ 296.87325 147.2
[M-H]- 272.87675 140.4
[M+NH4]+ 291.91785 156.6
[M+K]+ 312.84719 132.3
[M+H-H2O]+ 256.88129 145.1
[M+HCOO]- 318.88223 151.6
[M+CH3COO]- 332.89788 197.1
[M+Na-2H]- 294.85870 143.1
[M]+ 273.88348 171.8
[M]- 273.88458 171.8
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