CID 14795000

Diiodoacetic acid

Structural Information

Molecular Formula

C₂H₂I₂O₂

SMILES

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

InChI

InChI=1S/C2H2I2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

BQAMFNQVNXPFFH-UHFFFAOYSA-N

Compound name

2,2-diiodoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 260
Patents: 311.81442 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]+	312.82170	129.6
[M+Na]+	334.80364	122.9
[M-H]-	310.80714	118.4
[M+NH4]+	329.84824	140.6
[M+K]+	350.77758	134.7
[M+H-H2O]+	294.81168	119.8
[M+HCOO]-	356.81262	140.2
[M+CH3COO]-	370.82827	189.6
[M+Na-2H]-	332.78909	116.9
[M]+	311.81387	124.3
[M]-	311.81497	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe