CID 115266

Dibromochloroacetic acid

Structural Information

Molecular Formula

C₂HBr₂ClO₂

SMILES

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

InChI

InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

UCZDDMGNCJJAHK-UHFFFAOYSA-N

Compound name

2,2-dibromo-2-chloroacetic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 15
References: 105
Patents: 249.80318 Da
Monoisotopic Mass: 2.0
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]+	250.810456	129.5
[M+Na]+	272.792398	141.9
[M-H]-	248.795904	133.2
[M+NH4]+	267.837003	150.2
[M+K]+	288.766338	125.1
[M+H-H2O]+	232.800440	139.0
[M+HCOO]-	294.801381	140.2
[M+CH3COO]-	308.817031	191.8
[M+Na-2H]-	270.777846	137.5
[M]+	249.80263142	163.3
[M]-	249.80372858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe