CID 10583854

3-bromo-4-methylfuran-2,5-dione

Structural Information

Molecular Formula
C5H3BrO3
SMILES
CC1=C(C(=O)OC1=O)Br
InChI
InChI=1S/C5H3BrO3/c1-2-3(6)5(8)9-4(2)7/h1H3
InChIKey
AFFQJNROJVXRMN-UHFFFAOYSA-N
Compound name
3-bromo-4-methylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

189.92656 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.93384 131.5
[M+Na]+ 212.91578 134.1
[M+NH4]+ 207.96038 135.8
[M+K]+ 228.88972 137.1
[M-H]- 188.91928 131.7
[M+Na-2H]- 210.90123 132.5
[M]+ 189.92601 130.6
[M]- 189.92711 130.6
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