CID 3055357

Ethyl diphenoxyphosphinecarboxylate oxide

Structural Information

Molecular Formula
C15H15O5P
SMILES
CCOC(=O)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C15H15O5P/c1-2-18-15(16)21(17,19-13-9-5-3-6-10-13)20-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
MSXLZDIUXZWZDO-UHFFFAOYSA-N
Compound name
ethyl diphenoxyphosphorylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

306.0657 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07298 169.0
[M+Na]+ 329.05492 174.6
[M-H]- 305.05842 174.1
[M+NH4]+ 324.09952 183.5
[M+K]+ 345.02886 173.3
[M+H-H2O]+ 289.06296 158.6
[M+HCOO]- 351.06390 196.8
[M+CH3COO]- 365.07955 201.1
[M+Na-2H]- 327.04037 172.3
[M]+ 306.06515 173.9
[M]- 306.06625 173.9
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