CID 80027

Bromomaleic anhydride

Structural Information

Molecular Formula
C4HBrO3
SMILES
C1=C(C(=O)OC1=O)Br
InChI
InChI=1S/C4HBrO3/c5-2-1-3(6)8-4(2)7/h1H
InChIKey
YPRMWCKXOZFJGF-UHFFFAOYSA-N
Compound name
3-bromofuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1873
Patents

175.9109 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.91818 123.0
[M+Na]+ 198.90012 137.0
[M-H]- 174.90362 130.7
[M+NH4]+ 193.94472 147.4
[M+K]+ 214.87406 128.7
[M+H-H2O]+ 158.90816 124.6
[M+HCOO]- 220.90910 146.0
[M+CH3COO]- 234.92475 174.4
[M+Na-2H]- 196.88557 131.3
[M]+ 175.91035 143.0
[M]- 175.91145 143.0
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