CID 16684290

Triphenyltin 3,5-diisopropylsalicylate

Structural Information

Molecular Formula
C31H32O3Sn
SMILES
CC(C)C1=CC(=C(C(=C1)C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)C(C)C
InChI
InChI=1S/C13H18O3.3C6H5.Sn/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;3*1-2-4-6-5-3-1;/h5-8,14H,1-4H3,(H,15,16);3*1-5H;/q;;;;+1/p-1
InChIKey
SZGSZYHIADMUDS-UHFFFAOYSA-M
Compound name
triphenylstannyl 2-hydroxy-3,5-di(propan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

572.1373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.14458 236.4
[M+Na]+ 595.12652 237.9
[M-H]- 571.13002 245.5
[M+NH4]+ 590.17112 241.2
[M+K]+ 611.10046 232.0
[M+H-H2O]+ 555.13456 223.9
[M+HCOO]- 617.13550 250.0
[M+CH3COO]- 631.15115 239.8
[M+Na-2H]- 593.11197 232.4
[M]+ 572.13675 236.0
[M]- 572.13785 236.0
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