CID 2733169

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

Structural Information

Molecular Formula
C24H13F39Sn
SMILES
C(C[SnH](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)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/3C8H4F13.Sn.H/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;;
InChIKey
XDEOXVCAUPQFMU-UHFFFAOYSA-N
Compound name
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

25
Patents

1161.9417 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1162.948976 267.0
[M+Na]+ 1184.930918 268.3
[M-H]- 1160.934424 278.6
[M+NH4]+ 1179.975523 278.2
[M+K]+ 1200.904858 284.2
[M+H-H2O]+ 1144.938960 255.2
[M+HCOO]- 1206.939901 277.4
[M+CH3COO]- 1220.955551 281.8
[M+Na-2H]- 1182.916366 268.5
[M]+ 1161.94115142 259.7
[M]- 1161.94224858 259.7
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