CID 16717631

Refchem:586752

Structural Information

Molecular Formula
C10H14Cl2O4Sn
SMILES
C/C(=C/C(=O)C)/O[Sn](Cl)(Cl)O/C(=C\C(=O)C)/C
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/b2*4-3-;;;
InChIKey
DTMARTPDQMQTRX-VGKOASNMSA-J
Compound name
(Z)-4-[dichloro-[(Z)-4-oxopent-2-en-2-yl]oxystannyl]oxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

387.9291 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.936376 175.0
[M+Na]+ 410.918318 181.6
[M-H]- 386.921824 174.3
[M+NH4]+ 405.962923 191.3
[M+K]+ 426.892258 177.4
[M+H-H2O]+ 370.926360 171.7
[M+HCOO]- 432.927301 183.5
[M+CH3COO]- 446.942951 201.1
[M+Na-2H]- 408.903766 173.1
[M]+ 387.92855142 181.3
[M]- 387.92964858 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

literature stripe

Patent stripe

patents stripe