CID 16682777

(z)-5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene

Structural Information

Molecular Formula
C28H56O4Sn2
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)/C=C\C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/b2-1-;;;;;;;;
InChIKey
YABTYYUIWFCMDW-DYNMZUSMSA-L
Compound name
bis(tributylstannyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

280
Patents

696.2223 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.22958 269.5
[M+Na]+ 719.21152 277.2
[M-H]- 695.21502 261.9
[M+NH4]+ 714.25612 276.1
[M+K]+ 735.18546 278.3
[M+H-H2O]+ 679.21956 266.6
[M+HCOO]- 741.22050 279.8
[M+CH3COO]- 755.23615 251.6
[M+Na-2H]- 717.19697 253.6
[M]+ 696.22175 267.9
[M]- 696.22285 267.9
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