CID 10583854

59107-74-3

Structural Information

Molecular Formula

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: 53
Patents: 189.92656 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.93384	126.7
[M+Na]+	212.91578	141.1
[M-H]-	188.91928	134.7
[M+NH4]+	207.96038	150.9
[M+K]+	228.88972	132.5
[M+H-H2O]+	172.92382	128.3
[M+HCOO]-	234.92476	149.4
[M+CH3COO]-	248.94041	178.3
[M+Na-2H]-	210.90123	134.0
[M]+	189.92601	147.4
[M]-	189.92711	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe