PubChemLite - 2,3,4,6-tetra-o-pivaloyl-d-mannopyranosyl fluoride (C26H43FO9)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)F)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H43FO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17+,18?/m1/s1

InChIKey

YGQXZOVKBRJLJC-LPNAZMDGSA-N

Compound name

[(2R,3R,4S,5S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-fluorooxan-2-yl]methyl 2,2-dimethylpropanoate

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]+	519.29638	211.9
[M+Na]+	541.27832	221.1
[M-H]-	517.28182	223.0
[M+NH4]+	536.32292	229.8
[M+K]+	557.25226	222.2
[M+H-H2O]+	501.28636	212.1
[M+HCOO]-	563.28730	233.1
[M+CH3COO]-	577.30295	246.1
[M+Na-2H]-	539.26377	205.1
[M]+	518.28855	220.5
[M]-	518.28965	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.29638

211.9

[M+Na]+

541.27832

221.1

[M-H]-

517.28182

223.0

[M+NH4]+

536.32292

229.8

[M+K]+

557.25226

222.2

[M+H-H2O]+

501.28636

212.1

[M+HCOO]-

563.28730

233.1

[M+CH3COO]-

577.30295

246.1

[M+Na-2H]-

539.26377

205.1

[M]+

518.28855

220.5

[M]-

518.28965

220.5

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

2,3,4,6-tetra-o-pivaloyl-d-mannopyranosyl fluoride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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