CID 16211354

240497-37-4

Structural Information

Molecular Formula
C18H12BrF27Sn
SMILES
C(C[Sn](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Br)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/3C6H4F9.BrH.Sn/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;;/h3*1-2H2;1H;/q;;;;+1/p-1
InChIKey
GHTDTEBNYTUTDL-UHFFFAOYSA-M
Compound name
bromo-tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

939.87134 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 940.878616 250.9
[M+Na]+ 962.860558 253.7
[M-H]- 938.864064 259.5
[M+NH4]+ 957.905163 261.8
[M+K]+ 978.834498 268.4
[M+H-H2O]+ 922.868600 237.4
[M+HCOO]- 984.869541 265.5
[M+CH3COO]- 998.885191 273.3
[M+Na-2H]- 960.846006 248.3
[M]+ 939.87079142 246.5
[M]- 939.87188858 246.5
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.