PubChemLite - .beta.-d-arabinopyranoside, 9h-fluoren-9-yl, triacetate (C24H24O8)

Structural Information

Molecular Formula

SMILES

CC(=O)O[C@@H]1CO[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C24H24O8/c1-13(25)29-20-12-28-24(23(31-15(3)27)22(20)30-14(2)26)32-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-11,20-24H,12H2,1-3H3/t20-,22-,23+,24+/m1/s1

InChIKey

ZHVVXQMCQUKHIP-AZOUXBGGSA-N

Compound name

[(3R,4R,5S,6S)-4,5-diacetyloxy-6-(9H-fluoren-9-yloxy)oxan-3-yl] acetate

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]+	441.15441	200.4
[M+Na]+	463.13635	205.1
[M-H]-	439.13985	208.9
[M+NH4]+	458.18095	211.5
[M+K]+	479.11029	205.2
[M+H-H2O]+	423.14439	192.6
[M+HCOO]-	485.14533	214.9
[M+CH3COO]-	499.16098	230.2
[M+Na-2H]-	461.12180	198.5
[M]+	440.14658	206.6
[M]-	440.14768	206.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.15441

200.4

[M+Na]+

463.13635

205.1

[M-H]-

439.13985

208.9

[M+NH4]+

458.18095

211.5

[M+K]+

479.11029

205.2

[M+H-H2O]+

423.14439

192.6

[M+HCOO]-

485.14533

214.9

[M+CH3COO]-

499.16098

230.2

[M+Na-2H]-

461.12180

198.5

[M]+

440.14658

206.6

[M]-

440.14768

206.6

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

.beta.-d-arabinopyranoside, 9h-fluoren-9-yl, triacetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe