CID 16682773

2,2-dioctyl-1,3,2-oxathiastannolan-5-one

Structural Information

Molecular Formula
C18H36O2SSn
SMILES
CCCCCCCC[Sn]1(OC(=O)CS1)CCCCCCCC
InChI
InChI=1S/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2
InChIKey
KEUUHXDTZRYITO-UHFFFAOYSA-L
Compound name
2,2-dioctyl-1,3,2-oxathiastannolan-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

102
Patents

436.1458 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15308 203.7
[M+Na]+ 459.13502 206.1
[M-H]- 435.13852 205.0
[M+NH4]+ 454.17962 219.8
[M+K]+ 475.10896 202.5
[M+H-H2O]+ 419.14306 196.8
[M+HCOO]- 481.14400 216.2
[M+CH3COO]- 495.15965 213.6
[M+Na-2H]- 457.12047 199.2
[M]+ 436.14525 210.8
[M]- 436.14635 210.8
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