CID 56935838

Bromoiodoacetic acid

Structural Information

Molecular Formula

C₂H₂BrIO₂

SMILES

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

InChI

InChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

PMJXOVYMFHLFDD-UHFFFAOYSA-N

Compound name

2-bromo-2-iodoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 263.82828 Da
Monoisotopic Mass: 1.4
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]+	264.83556	133.1
[M+Na]+	286.81750	137.6
[M-H]-	262.82100	129.1
[M+NH4]+	281.86210	151.7
[M+K]+	302.79144	134.1
[M+H-H2O]+	246.82554	130.6
[M+HCOO]-	308.82648	147.9
[M+CH3COO]-	322.84213	180.2
[M+Na-2H]-	284.80295	128.0
[M]+	263.82773	146.9
[M]-	263.82883	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe