CID 16683219

Nsc644923

Structural Information

Molecular Formula
C10H14O2Sn
SMILES
C[Sn](C)(C)OC1=CC=CC=CC1=O
InChI
InChI=1S/C7H6O2.3CH3.Sn/c8-6-4-2-1-3-5-7(6)9;;;;/h1-5H,(H,8,9);3*1H3;/q;;;;+1/p-1
InChIKey
XFCQFDFKKVDSDG-UHFFFAOYSA-M
Compound name
2-trimethylstannyloxycyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00888 152.2
[M+Na]+ 308.99082 157.6
[M-H]- 284.99432 156.5
[M+NH4]+ 304.03542 170.3
[M+K]+ 324.96476 160.5
[M+H-H2O]+ 268.99886 147.2
[M+HCOO]- 330.99980 173.3
[M+CH3COO]- 345.01545 187.6
[M+Na-2H]- 306.97627 157.1
[M]+ 286.00105 151.8
[M]- 286.00215 151.8
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.