CID 16683204

Nsc643860

Structural Information

Molecular Formula
C26H30F2O4Sn
SMILES
CCCC[Sn](OC(=O)/C=C/C1=CC=CC=C1F)(OC(=O)/C=C/C2=CC=CC=C2F)CCCC
InChI
InChI=1S/2C9H7FO2.2C4H9.Sn/c2*10-8-4-2-1-3-7(8)5-6-9(11)12;2*1-3-4-2;/h2*1-6H,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*6-5+;;;
InChIKey
BZBGKPAQSJMVQS-LWJYSMRHSA-L
Compound name
[dibutyl-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxystannyl] (E)-3-(2-fluorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1134 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.12068 234.6
[M+Na]+ 587.10262 237.4
[M-H]- 563.10612 236.0
[M+NH4]+ 582.14722 241.6
[M+K]+ 603.07656 230.7
[M+H-H2O]+ 547.11066 222.2
[M+HCOO]- 609.11160 249.0
[M+CH3COO]- 623.12725 236.5
[M+Na-2H]- 585.08807 229.4
[M]+ 564.11285 237.4
[M]- 564.11395 237.4
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.