CID 16683004

Fenbutatin oxide

Structural Information

Molecular Formula
C60H78OSn2
SMILES
CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
InChIKey
HOXINJBQVZWYGZ-UHFFFAOYSA-N
Compound name
tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

20
References

24677
Patents

1054.4097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1055.4170 321.8
[M+Na]+ 1077.3989 312.0
[M-H]- 1053.4024 330.4
[M+NH4]+ 1072.4435 309.5
[M+K]+ 1093.3729 306.1
[M+H-H2O]+ 1037.4070 302.8
[M+HCOO]- 1099.4079 318.2
[M+CH3COO]- 1113.4236 307.7
[M+Na-2H]- 1075.3844 322.3
[M]+ 1054.4092 319.6
[M]- 1054.4102 319.6
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