PubChemLite - Allyltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane (C27H17F39Sn)

Structural Information

Molecular Formula

SMILES

C=CC[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)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/3C8H4F13.C3H5.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-3-2;/h3*1-2H2;3H,1-2H2;

InChIKey

RMDIHFFKXXTNGQ-UHFFFAOYSA-N

Compound name

prop-2-enyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1202.9802	273.6
[M+Na]+	1224.9621	274.5
[M-H]-	1200.9656	285.1
[M+NH4]+	1220.0067	284.5
[M+K]+	1240.9361	290.5
[M+H-H2O]+	1184.9702	261.2
[M+HCOO]-	1246.9711	284.7
[M+CH3COO]-	1260.9868	283.0
[M+Na-2H]-	1222.9476	274.6
[M]+	1201.9724	266.8
[M]-	1201.9734	266.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1202.9802

273.6

[M+Na]+

1224.9621

274.5

[M-H]-

1200.9656

285.1

[M+NH4]+

1220.0067

284.5

[M+K]+

1240.9361

290.5

[M+H-H2O]+

1184.9702

261.2

[M+HCOO]-

1246.9711

284.7

[M+CH3COO]-

1260.9868

283.0

[M+Na-2H]-

1222.9476

274.6

[M]+

1201.9724

266.8

[M]-

1201.9734

266.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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