CID 21594

5451-51-4

Structural Information

Molecular Formula

C₆H₈I₂O₄

SMILES

C(COC(=O)CI)OC(=O)CI

InChI

InChI=1S/C6H8I2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2

InChIKey

KBCCFFGCRDUANG-UHFFFAOYSA-N

Compound name

2-(2-iodoacetyl)oxyethyl 2-iodoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 397.8512 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]+	398.85848	152.9
[M+Na]+	420.84042	145.4
[M-H]-	396.84392	142.1
[M+NH4]+	415.88502	161.7
[M+K]+	436.81436	157.3
[M+H-H2O]+	380.84846	141.9
[M+HCOO]-	442.84940	164.0
[M+CH3COO]-	456.86505	202.6
[M+Na-2H]-	418.82587	138.6
[M]+	397.85065	151.8
[M]-	397.85175	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe