CID 99834

45669-18-9

Structural Information

Molecular Formula

C₄H₂Br₂O₃

SMILES

C1(C(C(=O)OC1=O)Br)Br

InChI

InChI=1S/C4H2Br2O3/c5-1-2(6)4(8)9-3(1)7/h1-2H

InChIKey

UKYNESNNFCHAEV-UHFFFAOYSA-N

Compound name

3,4-dibromooxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 834
Patents: 255.83707 Da
Monoisotopic Mass: 1.3
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]+	256.84435	131.6
[M+Na]+	278.82629	144.1
[M-H]-	254.82979	139.3
[M+NH4]+	273.87089	152.6
[M+K]+	294.80023	130.6
[M+H-H2O]+	238.83433	140.4
[M+HCOO]-	300.83527	147.8
[M+CH3COO]-	314.85092	195.1
[M+Na-2H]-	276.81174	138.0
[M]+	255.83652	165.6
[M]-	255.83762	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe