PubChemLite - 175354-31-1 (C24H12BrF39Sn)

Structural Information

Molecular Formula

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

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]+	1240.8595	282.1
[M+Na]+	1262.8414	283.1
[M-H]-	1238.8449	292.9
[M+NH4]+	1257.8860	292.3
[M+K]+	1278.8154	297.8
[M+H-H2O]+	1222.8495	270.7
[M+HCOO]-	1284.8504	292.4
[M+CH3COO]-	1298.8661	280.4
[M+Na-2H]-	1260.8269	282.8
[M]+	1239.8517	275.4
[M]-	1239.8527	275.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1240.8595

282.1

[M+Na]+

1262.8414

283.1

[M-H]-

1238.8449

292.9

[M+NH4]+

1257.8860

292.3

[M+K]+

1278.8154

297.8

[M+H-H2O]+

1222.8495

270.7

[M+HCOO]-

1284.8504

292.4

[M+CH3COO]-

1298.8661

280.4

[M+Na-2H]-

1260.8269

282.8

[M]+

1239.8517

275.4

[M]-

1239.8527

275.4

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

175354-31-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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