CID 10583854

59107-74-3

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

60
Patents

189.92656 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.933836 126.7
[M+Na]+ 212.915778 141.1
[M-H]- 188.919284 134.7
[M+NH4]+ 207.960383 150.9
[M+K]+ 228.889718 132.5
[M+H-H2O]+ 172.923820 128.3
[M+HCOO]- 234.924761 149.4
[M+CH3COO]- 248.940411 178.3
[M+Na-2H]- 210.901226 134.0
[M]+ 189.92601142 147.4
[M]- 189.92710858 147.4
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