CID 99860

3479-85-4

Structural Information

Molecular Formula

C₆H₈Br₂O₄

SMILES

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

InChI

InChI=1S/C6H8Br2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)

InChIKey

KABAKEOYQZKPBA-UHFFFAOYSA-N

Compound name

2,5-dibromohexanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 130
Patents: 301.87894 Da
Monoisotopic Mass: 1.7
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]+	302.886216	144.7
[M+Na]+	324.868158	153.1
[M-H]-	300.871664	146.2
[M+NH4]+	319.912763	161.8
[M+K]+	340.842098	137.7
[M+H-H2O]+	284.876200	151.7
[M+HCOO]-	346.877141	155.9
[M+CH3COO]-	360.892791	200.2
[M+Na-2H]-	322.853606	147.1
[M]+	301.87839142	177.1
[M]-	301.87948858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe