CID 3084680

Iodoacetyl chloride

Structural Information

Molecular Formula

SMILES

C(C(=O)Cl)I

InChI

InChI=1S/C2H2ClIO/c3-2(5)1-4/h1H2

InChIKey

BSVMPWANOMFSPR-UHFFFAOYSA-N

Compound name

2-iodoacetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 490
Patents: 203.8839 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]+	204.89118	119.2
[M+Na]+	226.87312	121.6
[M-H]-	202.87662	113.4
[M+NH4]+	221.91772	138.3
[M+K]+	242.84706	126.0
[M+H-H2O]+	186.88116	112.9
[M+HCOO]-	248.88210	134.2
[M+CH3COO]-	262.89775	173.4
[M+Na-2H]-	224.85857	114.4
[M]+	203.88335	118.4
[M]-	203.88445	118.4

Literature stripe

literature stripe

Patent stripe

patents stripe