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
3
Annotation Hits

0
References

379
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 130.3
[M+Na]+ 266.86266 140.9
[M-H]- 242.86616 134.6
[M+NH4]+ 261.90726 151.0
[M+K]+ 282.83660 126.7
[M+H-H2O]+ 226.87070 138.4
[M+HCOO]- 288.87164 145.7
[M+CH3COO]- 302.88729 195.4
[M+Na-2H]- 264.84811 136.9
[M]+ 243.87289 164.7
[M]- 243.87399 164.7
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