CID 70727

3,4-dibromofuran-2,5-dione

Structural Information

Molecular Formula
C4Br2O3
SMILES
C1(=C(C(=O)OC1=O)Br)Br
InChI
InChI=1S/C4Br2O3/c5-1-2(6)4(8)9-3(1)7
InChIKey
GEKJEMDSKURVLI-UHFFFAOYSA-N
Compound name
3,4-dibromofuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3548
Patents

253.82143 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.82871 129.1
[M+Na]+ 276.81065 142.4
[M-H]- 252.81415 137.1
[M+NH4]+ 271.85525 150.3
[M+K]+ 292.78459 128.9
[M+H-H2O]+ 236.81869 137.9
[M+HCOO]- 298.81963 146.4
[M+CH3COO]- 312.83528 194.8
[M+Na-2H]- 274.79610 136.4
[M]+ 253.82088 164.2
[M]- 253.82198 164.2
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