CID 95428

Methyl 2,3-dibromopropionate

Structural Information

Molecular Formula
C4H6Br2O2
SMILES
COC(=O)C(CBr)Br
InChI
InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChIKey
ROXQOUUAPQUMLN-UHFFFAOYSA-N
Compound name
methyl 2,3-dibromopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

328
Patents

243.87344 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.88072 136.8
[M+Na]+ 266.86266 130.6
[M+NH4]+ 261.90726 138.3
[M+K]+ 282.83660 138.2
[M-H]- 242.86616 135.7
[M+Na-2H]- 264.84811 136.9
[M]+ 243.87289 134.3
[M]- 243.87399 134.3
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