CID 3033972

Mucobromic acid

Structural Information

Molecular Formula

C₄H₂Br₂O₃

SMILES

C(=O)/C(=C(\C(=O)O)/Br)/Br

InChI

InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-

InChIKey

NCNYEGJDGNOYJX-IHWYPQMZSA-N

Compound name

(Z)-2,3-dibromo-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 1380
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	130.9
[M+Na]+	278.82629	141.2
[M-H]-	254.82979	134.1
[M+NH4]+	273.87089	150.3
[M+K]+	294.80023	125.8
[M+H-H2O]+	238.83433	138.8
[M+HCOO]-	300.83527	144.8
[M+CH3COO]-	314.85092	194.1
[M+Na-2H]-	276.81174	136.0
[M]+	255.83652	163.3
[M]-	255.83762	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe