CID 16684600

Tributyltin iodoacetate

Structural Information

Molecular Formula

C₁₄H₂₉IO₂Sn

SMILES

CCCC[Sn](CCCC)(CCCC)OC(=O)CI

InChI

InChI=1S/3C4H9.C2H3IO2.Sn/c3*1-3-4-2;3-1-2(4)5;/h3*1,3-4H2,2H3;1H2,(H,4,5);/q;;;;+1/p-1

InChIKey

FMBXDZRCNBBCCW-UHFFFAOYSA-M

Compound name

tributylstannyl 2-iodoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 476.02344 Da
Monoisotopic Mass: None
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]+	477.03072	204.2
[M+Na]+	499.01266	200.4
[M-H]-	475.01616	195.6
[M+NH4]+	494.05726	215.3
[M+K]+	514.98660	203.7
[M+H-H2O]+	459.02070	193.7
[M+HCOO]-	521.02164	216.7
[M+CH3COO]-	535.03729	211.9
[M+Na-2H]-	496.99811	190.7
[M]+	476.02289	207.1
[M]-	476.02399	207.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe