CID 44203213

920504-00-3

Structural Information

Molecular Formula
C31H54S2Sn2
SMILES
CCCCC(CC)CC1(C2=C(C3=C1C=C(S3)[Sn](C)(C)C)SC(=C2)[Sn](C)(C)C)CC(CC)CCCC
InChI
InChI=1S/C25H36S2.6CH3.2Sn/c1-5-9-11-19(7-3)17-25(18-20(8-4)12-10-6-2)21-13-15-26-23(21)24-22(25)14-16-27-24;;;;;;;;/h13-14,19-20H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKey
ZXOMLXYQGDCJAQ-UHFFFAOYSA-N
Compound name
[7,7-bis(2-ethylhexyl)-10-trimethylstannyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

730.1711 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.17838 266.2
[M+Na]+ 753.16032 271.5
[M+NH4]+ 748.20492 274.0
[M+K]+ 769.13426 261.4
[M-H]- 729.16382 266.5
[M+Na-2H]- 751.14577 264.2
[M]+ 730.17055 268.3
[M]- 730.17165 268.3
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