CID 132398693

4-iodo-3,3-dimethylbutanoyl chloride

Structural Information

Molecular Formula

C₆H₁₀ClIO

SMILES

CC(C)(CC(=O)Cl)CI

InChI

InChI=1S/C6H10ClIO/c1-6(2,4-8)3-5(7)9/h3-4H2,1-2H3

InChIKey

KVGHBDNFIVTHQE-UHFFFAOYSA-N

Compound name

4-iodo-3,3-dimethylbutanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.9465 Da
Monoisotopic Mass: 3.2
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]+	260.95378	139.0
[M+Na]+	282.93572	140.3
[M-H]-	258.93922	132.9
[M+NH4]+	277.98032	156.2
[M+K]+	298.90966	144.0
[M+H-H2O]+	242.94376	132.4
[M+HCOO]-	304.94470	151.3
[M+CH3COO]-	318.96035	185.0
[M+Na-2H]-	280.92117	132.5
[M]+	259.94595	139.2
[M]-	259.94705	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.