PubChemLite - Phenyltris((perfluorohexyl)ethyl)stannane (C30H17F39Sn)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[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.C6H5.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-2-4-6-5-3-1;/h3*1-2H2;1-5H;

InChIKey

AQCCETXOSNSMHS-UHFFFAOYSA-N

Compound name

phenyl-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]+	1238.9802	272.4
[M+Na]+	1260.9621	274.1
[M-H]-	1236.9656	283.8
[M+NH4]+	1256.0067	283.4
[M+K]+	1276.9361	289.1
[M+H-H2O]+	1220.9702	260.6
[M+HCOO]-	1282.9711	284.9
[M+CH3COO]-	1296.9868	285.1
[M+Na-2H]-	1258.9476	273.6
[M]+	1237.9724	265.9
[M]-	1237.9734	265.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1238.9802

272.4

[M+Na]+

1260.9621

274.1

[M-H]-

1236.9656

283.8

[M+NH4]+

1256.0067

283.4

[M+K]+

1276.9361

289.1

[M+H-H2O]+

1220.9702

260.6

[M+HCOO]-

1282.9711

284.9

[M+CH3COO]-

1296.9868

285.1

[M+Na-2H]-

1258.9476

273.6

[M]+

1237.9724

265.9

[M]-

1237.9734

265.9

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

Phenyltris((perfluorohexyl)ethyl)stannane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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