CID 12433

Dibromoacetic acid

Structural Information

Molecular Formula

C₂H₂Br₂O₂

SMILES

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

InChI

InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

SIEILFNCEFEENQ-UHFFFAOYSA-N

Compound name

2,2-dibromoacetic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 116
References: 2213
Patents: 215.84215 Da
Monoisotopic Mass: 1.5
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]+	216.84943	123.4
[M+Na]+	238.83137	134.1
[M-H]-	214.83487	126.7
[M+NH4]+	233.87597	144.2
[M+K]+	254.80531	119.4
[M+H-H2O]+	198.83941	131.7
[M+HCOO]-	260.84035	138.1
[M+CH3COO]-	274.85600	189.3
[M+Na-2H]-	236.81682	130.3
[M]+	215.84160	155.8
[M]-	215.84270	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe