CID 16683222

Nsc644926

Structural Information

Molecular Formula
C25H38O2Sn
SMILES
C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)OC4=CC=CC=CC4=O
InChI
InChI=1S/C7H6O2.3C6H11.Sn/c8-6-4-2-1-3-5-7(6)9;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1H,2-6H2;/q;;;;+1/p-1
InChIKey
OFMSZZZAVCZZSO-UHFFFAOYSA-M
Compound name
2-tricyclohexylstannyloxycyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.19668 214.9
[M+Na]+ 513.17862 209.2
[M-H]- 489.18212 222.7
[M+NH4]+ 508.22322 222.3
[M+K]+ 529.15256 207.9
[M+H-H2O]+ 473.18666 204.8
[M+HCOO]- 535.18760 222.3
[M+CH3COO]- 549.20325 221.3
[M+Na-2H]- 511.16407 209.7
[M]+ 490.18885 199.1
[M]- 490.18995 199.1
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.