CID 44153103

85938-47-2

Structural Information

Molecular Formula
C64H130O5Sn2
SMILES
CCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/2C16H32O2.4C8H17.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4*1-3-5-7-8-6-4-2;;;/h2*2-15H2,1H3,(H,17,18);4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
NFUQPAQTGMPBOM-UHFFFAOYSA-L
Compound name
[[hexadecanoyloxy(dioctyl)stannyl]oxy-dioctylstannyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1218.7963 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1219.8036 379.4
[M+Na]+ 1241.7855 379.8
[M-H]- 1217.7890 358.3
[M+NH4]+ 1236.8301 386.3
[M+K]+ 1257.7595 396.3
[M+H-H2O]+ 1201.7936 373.3
[M+HCOO]- 1263.7945 375.8
[M+CH3COO]- 1277.8102 346.7
[M+Na-2H]- 1239.7710 349.6
[M]+ 1218.7958 379.9
[M]- 1218.7968 379.9
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

No patent data available for this compound.