CID 16684537

Tributyl(((p-dodecylphenyl)sulphonyl)oxy)stannane

Structural Information

Molecular Formula
C30H56O3SSn
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C18H30O3S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;3*1-3-4-2;/h13-16H,2-12H2,1H3,(H,19,20,21);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
PWFLFJXKKNUHOQ-UHFFFAOYSA-M
Compound name
tributylstannyl 4-dodecylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.29724 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.30452 256.3
[M+Na]+ 639.28646 255.1
[M-H]- 615.28996 255.4
[M+NH4]+ 634.33106 262.4
[M+K]+ 655.26040 247.8
[M+H-H2O]+ 599.29450 245.9
[M+HCOO]- 661.29544 265.0
[M+CH3COO]- 675.31109 250.4
[M+Na-2H]- 637.27191 249.7
[M]+ 616.29669 268.4
[M]- 616.29779 268.4
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.