CID 16683209

2,4,6-cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-

Structural Information

Molecular Formula
C19H32O2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC1=CC=CC=CC1=O
InChI
InChI=1S/C7H6O2.3C4H9.Sn/c8-6-4-2-1-3-5-7(6)9;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
PGWGSFWVTVBEJD-UHFFFAOYSA-M
Compound name
2-tributylstannyloxycyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.14243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14971 192.7
[M+Na]+ 435.13165 194.4
[M-H]- 411.13515 195.2
[M+NH4]+ 430.17625 205.8
[M+K]+ 451.10559 195.1
[M+H-H2O]+ 395.13969 185.8
[M+HCOO]- 457.14063 210.8
[M+CH3COO]- 471.15628 213.1
[M+Na-2H]- 433.11710 192.8
[M]+ 412.14188 195.3
[M]- 412.14298 195.3
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.