CID 87788381

2-bromoisobutyric anhydride

Structural Information

Molecular Formula
C8H12Br2O3
SMILES
CC(C)(C(=O)OC(=O)C(C)(C)Br)Br
InChI
InChI=1S/C8H12Br2O3/c1-7(2,9)5(11)13-6(12)8(3,4)10/h1-4H3
InChIKey
CHYAZMNKLHWVBP-UHFFFAOYSA-N
Compound name
(2-bromo-2-methylpropanoyl) 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

313.9153 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.92258 151.0
[M+Na]+ 336.90452 161.1
[M-H]- 312.90802 155.2
[M+NH4]+ 331.94912 169.6
[M+K]+ 352.87846 146.4
[M+H-H2O]+ 296.91256 159.1
[M+HCOO]- 358.91350 163.2
[M+CH3COO]- 372.92915 205.2
[M+Na-2H]- 334.88997 156.6
[M]+ 313.91475 186.1
[M]- 313.91585 186.1
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

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