CID 246986

Ethyl 2,3-dibromo-2-methylpropanoate

Structural Information

Molecular Formula
C6H10Br2O2
SMILES
CCOC(=O)C(C)(CBr)Br
InChI
InChI=1S/C6H10Br2O2/c1-3-10-5(9)6(2,8)4-7/h3-4H2,1-2H3
InChIKey
ZYTBREBYDYHRRW-UHFFFAOYSA-N
Compound name
ethyl 2,3-dibromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

271.90475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.91203 140.1
[M+Na]+ 294.89397 150.7
[M-H]- 270.89747 144.4
[M+NH4]+ 289.93857 160.1
[M+K]+ 310.86791 135.9
[M+H-H2O]+ 254.90201 148.3
[M+HCOO]- 316.90295 154.6
[M+CH3COO]- 330.91860 199.5
[M+Na-2H]- 292.87942 147.1
[M]+ 271.90420 175.3
[M]- 271.90530 175.3
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