PubChemLite - (1s,2s)-(-)-n-(pentafluorobenzenesulfonyl)-1,2-diphenylethylenediamine (C20H15F5N2O2S)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N

InChI

InChI=1S/C20H15F5N2O2S/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11/h1-10,18-19,27H,26H2/t18-,19-/m0/s1

InChIKey

OXFFQNROWDDLTM-OALUTQOASA-N

Compound name

N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

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]+	443.08473	196.0
[M+Na]+	465.06667	204.2
[M-H]-	441.07017	198.9
[M+NH4]+	460.11127	204.4
[M+K]+	481.04061	196.4
[M+H-H2O]+	425.07471	182.4
[M+HCOO]-	487.07565	207.4
[M+CH3COO]-	501.09130	233.1
[M+Na-2H]-	463.05212	193.3
[M]+	442.07690	190.8
[M]-	442.07800	190.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.08473

196.0

[M+Na]+

465.06667

204.2

[M-H]-

441.07017

198.9

[M+NH4]+

460.11127

204.4

[M+K]+

481.04061

196.4

[M+H-H2O]+

425.07471

182.4

[M+HCOO]-

487.07565

207.4

[M+CH3COO]-

501.09130

233.1

[M+Na-2H]-

463.05212

193.3

[M]+

442.07690

190.8

[M]-

442.07800

190.8

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

(1s,2s)-(-)-n-(pentafluorobenzenesulfonyl)-1,2-diphenylethylenediamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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