CID 120212

339-32-2

Structural Information

Molecular Formula
C14H24FN2O3P
SMILES
CN(C)CCOP(=O)(C1=CC=C(C=C1)F)OCCN(C)C
InChI
InChI=1S/C14H24FN2O3P/c1-16(2)9-11-19-21(18,20-12-10-17(3)4)14-7-5-13(15)6-8-14/h5-8H,9-12H2,1-4H3
InChIKey
WZJMQABHPDFVDV-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy-(4-fluorophenyl)phosphoryl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15813 176.2
[M+Na]+ 341.14007 180.8
[M-H]- 317.14357 179.5
[M+NH4]+ 336.18467 191.8
[M+K]+ 357.11401 181.4
[M+H-H2O]+ 301.14811 165.1
[M+HCOO]- 363.14905 205.4
[M+CH3COO]- 377.16470 219.6
[M+Na-2H]- 339.12552 176.6
[M]+ 318.15030 182.6
[M]- 318.15140 182.6
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.