PubChemLite - 203866-19-7 (C20H18FNO4)

Structural Information

Molecular Formula

SMILES

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F

InChI

InChI=1S/C20H18FNO4/c21-12-9-18(19(23)24)22(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,23,24)/t12-,18-/m0/s1

InChIKey

CJEQUGHYFSTTQT-SGTLLEGYSA-N

Compound name

(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid

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]+	356.12926	183.6
[M+Na]+	378.11120	193.3
[M+NH4]+	373.15580	190.0
[M+K]+	394.08514	191.3
[M-H]-	354.11470	184.1
[M+Na-2H]-	376.09665	185.5
[M]+	355.12143	184.7
[M]-	355.12253	184.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

356.12926

183.6

[M+Na]+

378.11120

193.3

[M+NH4]+

373.15580

190.0

[M+K]+

394.08514

191.3

[M-H]-

354.11470

184.1

[M+Na-2H]-

376.09665

185.5

[M]+

355.12143

184.7

[M]-

355.12253

184.7

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

203866-19-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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