CID 385508

Nsc676757

Structural Information

Molecular Formula
C20H23F4N2O5P
SMILES
CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=C(C=C2)OC)C(=O)NC(F)(F)F)OCC
InChI
InChI=1S/C20H23F4N2O5P/c1-4-30-32(28,31-5-2)18(14-6-8-15(21)9-7-14)26(19(27)25-20(22,23)24)16-10-12-17(29-3)13-11-16/h6-13,18H,4-5H2,1-3H3,(H,25,27)
InChIKey
WZGFUJSQNBJYSD-UHFFFAOYSA-N
Compound name
1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.12808 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.13536 209.2
[M+Na]+ 501.11730 213.0
[M-H]- 477.12080 210.2
[M+NH4]+ 496.16190 216.8
[M+K]+ 517.09124 211.9
[M+H-H2O]+ 461.12534 194.2
[M+HCOO]- 523.12628 230.7
[M+CH3COO]- 537.14193 242.4
[M+Na-2H]- 499.10275 207.1
[M]+ 478.12753 210.3
[M]- 478.12863 210.3
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.