CID 102601782

240497-36-3

Structural Information

Molecular Formula
C24H17F27Sn
SMILES
C1=CC=C(C=C1)[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)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/3C6H4F9.C6H5.Sn/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;1-2-4-6-5-3-1;/h3*1-2H2;1-5H;
InChIKey
WFZSJBMGELYANT-UHFFFAOYSA-N
Compound name
tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-phenylstannane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

937.9921 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 938.999376 234.6
[M+Na]+ 960.981318 238.7
[M-H]- 936.984824 243.5
[M+NH4]+ 956.025923 246.4
[M+K]+ 976.955258 253.2
[M+H-H2O]+ 920.989360 221.2
[M+HCOO]- 982.990301 253.0
[M+CH3COO]- 997.005951 279.6
[M+Na-2H]- 958.966766 232.8
[M]+ 937.99155142 231.1
[M]- 937.99264858 231.1
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.