CID 16682804

Fentin acetate

Structural Information

Molecular Formula
C20H18O2Sn
SMILES
CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKey
WDQNIWFZKXZFAY-UHFFFAOYSA-M
Compound name
triphenylstannyl acetate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

39
References

14841
Patents

410.03287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.040146 192.5
[M+Na]+ 433.022088 196.7
[M-H]- 409.025594 200.6
[M+NH4]+ 428.066693 205.0
[M+K]+ 448.996028 191.6
[M+H-H2O]+ 393.030130 182.2
[M+HCOO]- 455.031071 212.4
[M+CH3COO]- 469.046721 206.9
[M+Na-2H]- 431.007536 196.4
[M]+ 410.03232142 191.9
[M]- 410.03341858 191.9
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