CID 363586

Nsc628582

Structural Information

Molecular Formula
C23H26O2Sn
SMILES
C1=CC=C(C=C1)[Sn](CCCC(CO)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C5H11O2.Sn/c3*1-2-4-6-5-3-1;1-2-3-5(7)4-6;/h3*1-5H;5-7H,1-4H2;
InChIKey
ZKNLSHBGOYBBHJ-UHFFFAOYSA-N
Compound name
5-triphenylstannylpentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.0955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.10278 206.0
[M+Na]+ 477.08472 207.6
[M-H]- 453.08822 210.6
[M+NH4]+ 472.12932 215.3
[M+K]+ 493.05866 200.7
[M+H-H2O]+ 437.09276 195.7
[M+HCOO]- 499.09370 221.7
[M+CH3COO]- 513.10935 212.2
[M+Na-2H]- 475.07017 207.6
[M]+ 454.09495 203.5
[M]- 454.09605 203.5
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.