CID 122574

Alpha-hydroxybenzylidenebis(dimethyl phosphonate)

Structural Information

Molecular Formula
C11H18O7P2
SMILES
COP(=O)(C(C1=CC=CC=C1)(O)P(=O)(OC)OC)OC
InChI
InChI=1S/C11H18O7P2/c1-15-19(13,16-2)11(12,20(14,17-3)18-4)10-8-6-5-7-9-10/h5-9,12H,1-4H3
InChIKey
MIEJEPCMQVNQGH-UHFFFAOYSA-N
Compound name
bis(dimethoxyphosphoryl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.05276 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06004 174.1
[M+Na]+ 347.04198 179.8
[M-H]- 323.04548 174.0
[M+NH4]+ 342.08658 188.2
[M+K]+ 363.01592 180.8
[M+H-H2O]+ 307.05002 163.8
[M+HCOO]- 369.05096 203.5
[M+CH3COO]- 383.06661 203.2
[M+Na-2H]- 345.02743 178.9
[M]+ 324.05221 182.3
[M]- 324.05331 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.