CID 58517365

477789-30-3

Structural Information

Molecular Formula
C16H24S2Sn2
SMILES
C[Sn](C)(C)C1=CC=C(S1)/C=C/C2=CC=C(S2)[Sn](C)(C)C
InChI
InChI=1S/C10H6S2.6CH3.2Sn/c1-3-9(11-7-1)5-6-10-4-2-8-12-10;;;;;;;;/h1-6H;6*1H3;;/b6-5+;;;;;;;;
InChIKey
NDHZYIWVQSXGQE-BPLSXZKWSA-N
Compound name
trimethyl-[5-[(E)-2-(5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

519.93634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.94362 215.9
[M+Na]+ 542.92556 224.2
[M-H]- 518.92906 221.9
[M+NH4]+ 537.97016 234.1
[M+K]+ 558.89950 217.5
[M+H-H2O]+ 502.93360 209.0
[M+HCOO]- 564.93454 226.4
[M+CH3COO]- 578.95019 211.6
[M+Na-2H]- 540.91101 209.1
[M]+ 519.93579 222.0
[M]- 519.93689 222.0
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