CID 11979373

Tris(triphenylstannyl) isocyanurate

Structural Information

Molecular Formula
C57H45N3O3Sn3
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=O)N(C(=O)N(C4=O)[Sn](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)[Sn](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/9C6H5.C3H3N3O3.3Sn/c9*1-2-4-6-5-3-1;7-1-4-2(8)6-3(9)5-1;;;/h9*1-5H;(H3,4,5,6,7,8,9);;;/q;;;;;;;;;;3*+1/p-3
InChIKey
GXZYYGCCDGMARP-UHFFFAOYSA-K
Compound name
1,3,5-tris(triphenylstannyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1179.0527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1180.0600 328.3
[M+Na]+ 1202.0419 322.6
[M-H]- 1178.0454 341.9
[M+NH4]+ 1197.0865 307.9
[M+K]+ 1218.0159 313.0
[M+H-H2O]+ 1162.0500 301.2
[M+HCOO]- 1224.0509 328.4
[M+CH3COO]- 1238.0666 320.5
[M+Na-2H]- 1200.0274 324.7
[M]+ 1179.0522 317.0
[M]- 1179.0532 317.0
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.