PubChemLite - 2416218-87-4 (C19H29Cl3NO11P)

Structural Information

Molecular Formula

SMILES

CCOP(=O)(CC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C)OCC

InChI

InChI=1S/C19H29Cl3NO11P/c1-6-28-35(27,29-7-2)9-8-13-14(30-10(3)24)15(31-11(4)25)16(32-12(5)26)17(33-13)34-18(23)19(20,21)22/h13-17,23H,6-9H2,1-5H3/t13-,14-,15+,16+,17-/m1/s1

InChIKey

ZEIZHUDRTSODAG-UHDSXZAQSA-N

Compound name

[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-2-(2-diethoxyphosphorylethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-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]+	584.06168	220.5
[M+Na]+	606.04362	231.2
[M-H]-	582.04712	232.9
[M+NH4]+	601.08822	237.6
[M+K]+	622.01756	226.4
[M+H-H2O]+	566.05166	218.8
[M+HCOO]-	628.05260	241.0
[M+CH3COO]-	642.06825	250.1
[M+Na-2H]-	604.02907	213.1
[M]+	583.05385	229.9
[M]-	583.05495	229.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

584.06168

220.5

[M+Na]+

606.04362

231.2

[M-H]-

582.04712

232.9

[M+NH4]+

601.08822

237.6

[M+K]+

622.01756

226.4

[M+H-H2O]+

566.05166

218.8

[M+HCOO]-

628.05260

241.0

[M+CH3COO]-

642.06825

250.1

[M+Na-2H]-

604.02907

213.1

[M]+

583.05385

229.9

[M]-

583.05495

229.9

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

2416218-87-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe