Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin azide (C24H12F39N3Sn)

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)N=[N+]=[N-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/3C8H4F13.N3.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;;/q;;;-1;+1

InChIKey

XBCIYHZQPNYTIF-UHFFFAOYSA-N

Compound name

azido-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]+	1203.950276	278.0
[M+Na]+	1225.932218	279.9
[M-H]-	1201.935724	292.4
[M+NH4]+	1220.976823	289.5
[M+K]+	1241.906158	295.5
[M+H-H2O]+	1185.940260	262.7
[M+HCOO]-	1247.941201	289.5
[M+CH3COO]-	1261.956851	283.2
[M+Na-2H]-	1223.917666	279.1
[M]+	1202.94245142	267.6
[M]-	1202.94354858	267.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1203.950276

278.0

[M+Na]+

1225.932218

279.9

[M-H]-

1201.935724

292.4

[M+NH4]+

1220.976823

289.5

[M+K]+

1241.906158

295.5

[M+H-H2O]+

1185.940260

262.7

[M+HCOO]-

1247.941201

289.5

[M+CH3COO]-

1261.956851

283.2

[M+Na-2H]-

1223.917666

279.1

[M]+

1202.94245142

267.6

[M]-

1202.94354858

267.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe