CID 24194156

Wln: 4-sn-4&4&or br

Structural Information

Molecular Formula
C24H36OSn
SMILES
CCCC[Sn-](CCCC)(CCCC)OC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C12H10O.3C4H9.Sn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-4-2;/h1-9,13H;3*1,3-4H2,2H3;/p-1
InChIKey
ATEDQGYGKYQTOZ-UHFFFAOYSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.17883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.186106 212.6
[M+Na]+ 483.168048 214.1
[M-H]- 459.171554 214.7
[M+NH4]+ 478.212653 223.5
[M+K]+ 499.141988 208.0
[M+H-H2O]+ 443.176090 204.7
[M+HCOO]- 505.177031 229.8
[M+CH3COO]- 519.192681 219.9
[M+Na-2H]- 481.153496 211.4
[M]+ 460.17828142 214.1
[M]- 460.17937858 214.1
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.