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

7
Patents

246.0422 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04948 158.1
[M+Na]+ 269.03142 164.4
[M-H]- 245.03492 153.4
[M+NH4]+ 264.07602 175.1
[M+K]+ 285.00536 164.5
[M+H-H2O]+ 229.03946 149.4
[M+HCOO]- 291.04040 187.5
[M+CH3COO]- 305.05605 187.5
[M+Na-2H]- 267.01687 160.4
[M]+ 246.04165 164.8
[M]- 246.04275 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe