CID 216060

2-ethyl-2-thiopseudourea ethylenebis(o-ethylphosphite) (2:1)

Structural Information

Molecular Formula

C₆H₁₆O₆P₂

SMILES

CCOP(=O)(CCP(=O)(O)OCC)O

InChI

InChI=1S/C6H16O6P2/c1-3-11-13(7,8)5-6-14(9,10)12-4-2/h3-6H2,1-2H3,(H,7,8)(H,9,10)

InChIKey

DIGNACVDNXYFQA-UHFFFAOYSA-N

Compound name

ethoxy-[2-[ethoxy(hydroxy)phosphoryl]ethyl]phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 246.0422 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

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]+	247.049476	158.1
[M+Na]+	269.031418	164.4
[M-H]-	245.034924	153.4
[M+NH4]+	264.076023	175.1
[M+K]+	285.005358	164.5
[M+H-H2O]+	229.039460	149.4
[M+HCOO]-	291.040401	187.5
[M+CH3COO]-	305.056051	187.5
[M+Na-2H]-	267.016866	160.4
[M]+	246.04165142	164.8
[M]-	246.04274858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe