CID 113236

1,3,2-dioxaphosphorinane-5,5-dimethanol, 2-(2-chloroethoxy)-, 2-oxide

Structural Information

Molecular Formula
C7H14ClO6P
SMILES
C1C(COP(=O)(O1)OCCCl)(CO)CO
InChI
InChI=1S/C7H14ClO6P/c8-1-2-12-15(11)13-5-7(3-9,4-10)6-14-15/h9-10H,1-6H2
InChIKey
ARQVVPQSWRHOAE-UHFFFAOYSA-N
Compound name
[2-(2-chloroethoxy)-5-(hydroxymethyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.02167 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02895 148.8
[M+Na]+ 283.01089 156.1
[M-H]- 259.01439 149.9
[M+NH4]+ 278.05549 166.8
[M+K]+ 298.98483 156.4
[M+H-H2O]+ 243.01893 143.9
[M+HCOO]- 305.01987 166.9
[M+CH3COO]- 319.03552 184.6
[M+Na-2H]- 280.99634 154.9
[M]+ 260.02112 153.8
[M]- 260.02222 153.8
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

No patent data available for this compound.