CID 76174

Trihexyltin acetate

Structural Information

Molecular Formula
C20H42O2Sn
SMILES
CCCCCC[Sn](CCCCCC)(CCCCCC)CC(=O)O
InChI
InChI=1S/3C6H13.C2H3O2.Sn/c3*1-3-5-6-4-2;1-2(3)4;/h3*1,3-6H2,2H3;1H2,(H,3,4);
InChIKey
IQGPZWMPDFAKSJ-UHFFFAOYSA-N
Compound name
2-trihexylstannylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

434.22067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22795 213.7
[M+Na]+ 457.20989 213.9
[M-H]- 433.21339 209.2
[M+NH4]+ 452.25449 226.2
[M+K]+ 473.18383 209.5
[M+H-H2O]+ 417.21793 206.2
[M+HCOO]- 479.21887 227.9
[M+CH3COO]- 493.23452 217.8
[M+Na-2H]- 455.19534 209.6
[M]+ 434.22012 219.9
[M]- 434.22122 219.9
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

patents stripe