CID 95324

2,3-dibromosuccinic acid

Structural Information

Molecular Formula

C₄H₄Br₂O₄

SMILES

C(C(C(=O)O)Br)(C(=O)O)Br

InChI

InChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)

InChIKey

FJWGRXKOBIVTFA-UHFFFAOYSA-N

Compound name

2,3-dibromobutanedioic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1557
Patents: 273.84763 Da
Monoisotopic Mass: 1.0
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]+	274.85491	136.5
[M+Na]+	296.83685	145.5
[M-H]-	272.84035	138.3
[M+NH4]+	291.88145	154.4
[M+K]+	312.81079	130.5
[M+H-H2O]+	256.84489	143.8
[M+HCOO]-	318.84583	148.2
[M+CH3COO]-	332.86148	195.7
[M+Na-2H]-	294.82230	139.8
[M]+	273.84708	168.3
[M]-	273.84818	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe