CID 16683415

Plumbane, (p-toluenesulfonyloxy)triethyl-

Structural Information

Molecular Formula
C13H22O3PbS
SMILES
CC[Pb](CC)(CC)OS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C7H8O3S.3C2H5.Pb/c1-6-2-4-7(5-3-6)11(8,9)10;3*1-2;/h2-5H,1H3,(H,8,9,10);3*1H2,2H3;/q;;;;+1/p-1
InChIKey
DOZMZKXVAWQPEK-UHFFFAOYSA-M
Compound name
triethylplumbyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.10562 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.11290 201.1
[M+Na]+ 489.09484 206.7
[M-H]- 465.09834 203.1
[M+NH4]+ 484.13944 216.1
[M+K]+ 505.06878 202.7
[M+H-H2O]+ 449.10288 193.1
[M+HCOO]- 511.10382 214.4
[M+CH3COO]- 525.11947 204.3
[M+Na-2H]- 487.08029 200.6
[M]+ 466.10507 207.2
[M]- 466.10617 207.2
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.