CID 44148215

Einecs 288-888-8

Structural Information

Molecular Formula
C52H96O4Sn
SMILES
CCCCCCCC[Sn](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC
InChI
InChI=1S/2C18H32O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*7-6-,10-9-;;;
InChIKey
QFSFEKWSLIFQKC-ZHEBOFABSA-L
Compound name
[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-dioctylstannyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

904.63306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 905.64034 319.3
[M+Na]+ 927.62228 324.5
[M-H]- 903.62578 302.8
[M+NH4]+ 922.66688 324.2
[M+K]+ 943.59622 332.3
[M+H-H2O]+ 887.63032 316.2
[M+HCOO]- 949.63126 322.8
[M+CH3COO]- 963.64691 306.3
[M+Na-2H]- 925.60773 297.1
[M]+ 904.63251 317.9
[M]- 904.63361 317.9
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.