CID 209842

(diethoxymethyl)diphenylphosphine oxide

Structural Information

Molecular Formula
C17H21O3P
SMILES
CCOC(OCC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H21O3P/c1-3-19-17(20-4-2)21(18,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKey
LKSRYMVZGUQOFC-UHFFFAOYSA-N
Compound name
[diethoxymethyl(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

304.12283 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13011 174.5
[M+Na]+ 327.11205 179.3
[M-H]- 303.11555 179.3
[M+NH4]+ 322.15665 189.3
[M+K]+ 343.08599 176.7
[M+H-H2O]+ 287.12009 164.1
[M+HCOO]- 349.12103 201.0
[M+CH3COO]- 363.13668 204.5
[M+Na-2H]- 325.09750 176.3
[M]+ 304.12228 178.2
[M]- 304.12338 178.2
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

patents stripe