CID 16684272

Tin dibutylditrifluoroacetate

Structural Information

Molecular Formula
C12H18F6O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChI
InChI=1S/2C4H9.2C2HF3O2.Sn/c2*1-3-4-2;2*3-2(4,5)1(6)7;/h2*1,3-4H2,2H3;2*(H,6,7);/q;;;;+2/p-2
InChIKey
JTRGWAAQOVTJGY-UHFFFAOYSA-L
Compound name
[dibutyl-(2,2,2-trifluoroacetyl)oxystannyl] 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

460.01312 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.02040 195.5
[M+Na]+ 483.00234 200.9
[M-H]- 459.00584 186.7
[M+NH4]+ 478.04694 196.8
[M+K]+ 498.97628 198.9
[M+H-H2O]+ 443.01038 184.7
[M+HCOO]- 505.01132 205.1
[M+CH3COO]- 519.02697 215.0
[M+Na-2H]- 480.98779 194.0
[M]+ 460.01257 192.8
[M]- 460.01367 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe