CID 93333

Propanoic acid, 3,3'-(dichlorostannylene)bis-, 1,1'-dibutyl ester

Structural Information

Molecular Formula
C14H26Cl2O4Sn
SMILES
CCCCOC(=O)CC[Sn](CCC(=O)OCCCC)(Cl)Cl
InChI
InChI=1S/2C7H13O2.2ClH.Sn/c2*1-3-5-6-9-7(8)4-2;;;/h2*2-6H2,1H3;2*1H;/q;;;;+2/p-2
InChIKey
XMGWLFYKLMZYEI-UHFFFAOYSA-L
Compound name
butyl 3-[(3-butoxy-3-oxopropyl)-dichlorostannyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

448.023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.03028 198.9
[M+Na]+ 471.01222 203.5
[M-H]- 447.01572 197.0
[M+NH4]+ 466.05682 213.0
[M+K]+ 486.98616 198.6
[M+H-H2O]+ 431.02026 194.0
[M+HCOO]- 493.02120 207.3
[M+CH3COO]- 507.03685 212.7
[M+Na-2H]- 468.99767 196.9
[M]+ 448.02245 209.1
[M]- 448.02355 209.1
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