CID 16683947

3669-02-1

Structural Information

Molecular Formula
C40H82O5Sn2
SMILES
CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/2C12H24O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h2*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
DMTINRVJBGOLMJ-UHFFFAOYSA-L
Compound name
[dibutyl-[dibutyl(dodecanoyloxy)stannyl]oxystannyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

882.42065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.42793 311.9
[M+Na]+ 905.40987 316.3
[M-H]- 881.41337 299.6
[M+NH4]+ 900.45447 318.6
[M+K]+ 921.38381 322.9
[M+H-H2O]+ 865.41791 307.8
[M+HCOO]- 927.41885 316.7
[M+CH3COO]- 941.43450 287.6
[M+Na-2H]- 903.39532 290.2
[M]+ 882.42010 310.2
[M]- 882.42120 310.2
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