CID 534286

Methyl 2,3-dibromo-2-methylpropanoate

Structural Information

Molecular Formula
C5H8Br2O2
SMILES
CC(CBr)(C(=O)OC)Br
InChI
InChI=1S/C5H8Br2O2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3
InChIKey
GVLXNUSEDDXIGJ-UHFFFAOYSA-N
Compound name
methyl 2,3-dibromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

257.8891 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.89638 136.0
[M+Na]+ 280.87832 146.9
[M-H]- 256.88182 140.3
[M+NH4]+ 275.92292 156.4
[M+K]+ 296.85226 132.3
[M+H-H2O]+ 240.88636 144.3
[M+HCOO]- 302.88730 150.7
[M+CH3COO]- 316.90295 197.2
[M+Na-2H]- 278.86377 143.4
[M]+ 257.88855 170.8
[M]- 257.88965 170.8
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