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]+ 940.87862 250.9
[M+Na]+ 962.86056 253.7
[M-H]- 938.86406 259.5
[M+NH4]+ 957.90516 261.8
[M+K]+ 978.83450 268.4
[M+H-H2O]+ 922.86860 237.4
[M+HCOO]- 984.86954 265.5
[M+CH3COO]- 998.88519 273.3
[M+Na-2H]- 960.84601 248.3
[M]+ 939.87079 246.5
[M]- 939.87189 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.