CID 16684611

Stannane, (4-iodobenzoyloxy)tributyl-

Structural Information

Molecular Formula
C19H31IO2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)I
InChI
InChI=1S/C7H5IO2.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
VDIMMTYJEIQLHV-UHFFFAOYSA-M
Compound name
tributylstannyl 4-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.03906 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.04634 218.2
[M+Na]+ 561.02828 214.2
[M-H]- 537.03178 212.3
[M+NH4]+ 556.07288 226.6
[M+K]+ 577.00222 215.9
[M+H-H2O]+ 521.03632 206.0
[M+HCOO]- 583.03726 230.4
[M+CH3COO]- 597.05291 222.5
[M+Na-2H]- 559.01373 204.1
[M]+ 538.03851 220.4
[M]- 538.03961 220.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.