CID 16743266

380894-77-9

Structural Information

Molecular Formula
C16H19FNO3P
SMILES
CCOP(=O)(CC1=NC=C(C=C1)C2=CC(=CC=C2)F)OCC
InChI
InChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-16-9-8-14(11-18-16)13-6-5-7-15(17)10-13/h5-11H,3-4,12H2,1-2H3
InChIKey
CPOPYWOLIYKTLP-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

323.10867 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11595 176.6
[M+Na]+ 346.09789 183.8
[M-H]- 322.10139 179.3
[M+NH4]+ 341.14249 189.8
[M+K]+ 362.07183 180.4
[M+H-H2O]+ 306.10593 164.5
[M+HCOO]- 368.10687 201.9
[M+CH3COO]- 382.12252 208.3
[M+Na-2H]- 344.08334 178.1
[M]+ 323.10812 180.5
[M]- 323.10922 180.5
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.