CID 88685

2-bromo-2-methylpropionyl bromide

Structural Information

Molecular Formula
C4H6Br2O
SMILES
CC(C)(C(=O)Br)Br
InChI
InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
InChIKey
YOCIJWAHRAJQFT-UHFFFAOYSA-N
Compound name
2-bromo-2-methylpropanoyl bromide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

25
References

8454
Patents

227.87854 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.88582 129.7
[M+Na]+ 250.86776 141.0
[M-H]- 226.87126 134.2
[M+NH4]+ 245.91236 151.0
[M+K]+ 266.84170 126.3
[M+H-H2O]+ 210.87580 138.4
[M+HCOO]- 272.87674 144.5
[M+CH3COO]- 286.89239 194.0
[M+Na-2H]- 248.85321 137.6
[M]+ 227.87799 163.2
[M]- 227.87909 163.2
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