CID 16685263

16919-46-3

Structural Information

Molecular Formula
C10H14Cl2O4Sn
SMILES
CC(=CC(=O)C)O[Sn](OC(=CC(=O)C)C)(Cl)Cl
InChI
InChI=1S/2C5H8O2.2ClH.Sn/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H;/q;;;;+4/p-4
InChIKey
DTMARTPDQMQTRX-UHFFFAOYSA-J
Compound name
4-[dichloro(4-oxopent-2-en-2-yloxy)stannyl]oxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.9291 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.93638 175.0
[M+Na]+ 410.91832 181.6
[M-H]- 386.92182 174.3
[M+NH4]+ 405.96292 191.3
[M+K]+ 426.89226 177.4
[M+H-H2O]+ 370.92636 171.7
[M+HCOO]- 432.92730 183.5
[M+CH3COO]- 446.94295 201.1
[M+Na-2H]- 408.90377 173.1
[M]+ 387.92855 181.3
[M]- 387.92965 181.3
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.