CID 2733228

175354-31-1

Structural Information

Molecular Formula
C24H12BrF39Sn
SMILES
C(C[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)Br)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/3C8H4F13.BrH.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h3*1-2H2;1H;/q;;;;+1/p-1
InChIKey
JUIMYMQITJQCCQ-UHFFFAOYSA-M
Compound name
bromo-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

18
Patents

1239.8522 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1240.859476 282.1
[M+Na]+ 1262.841418 283.1
[M-H]- 1238.844924 292.9
[M+NH4]+ 1257.886023 292.3
[M+K]+ 1278.815358 297.8
[M+H-H2O]+ 1222.849460 270.7
[M+HCOO]- 1284.850401 292.4
[M+CH3COO]- 1298.866051 280.4
[M+Na-2H]- 1260.826866 282.8
[M]+ 1239.85165142 275.4
[M]- 1239.85274858 275.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe