CID 10510526

Allyltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

Structural Information

Molecular Formula
C27H17F39Sn
SMILES
C=CC[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/3C8H4F13.C3H5.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-3-2;/h3*1-2H2;3H,1-2H2;
InChIKey
RMDIHFFKXXTNGQ-UHFFFAOYSA-N
Compound name
prop-2-enyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

1201.9729 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1202.980176 273.6
[M+Na]+ 1224.962118 274.5
[M-H]- 1200.965624 285.1
[M+NH4]+ 1220.006723 284.5
[M+K]+ 1240.936058 290.5
[M+H-H2O]+ 1184.970160 261.2
[M+HCOO]- 1246.971101 284.7
[M+CH3COO]- 1260.986751 283.0
[M+Na-2H]- 1222.947566 274.6
[M]+ 1201.97235142 266.8
[M]- 1201.97344858 266.8
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

patents stripe