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

62
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

literature stripe

Patent stripe

patents stripe