CID 385506

Nsc676755

Structural Information

Molecular Formula
C19H20F5N2O4P
SMILES
CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=C(C=C2)F)C(=O)NC(F)(F)F)OCC
InChI
InChI=1S/C19H20F5N2O4P/c1-3-29-31(28,30-4-2)17(13-5-7-14(20)8-6-13)26(18(27)25-19(22,23)24)16-11-9-15(21)10-12-16/h5-12,17H,3-4H2,1-2H3,(H,25,27)
InChIKey
XWBZSOMNSYHMQR-UHFFFAOYSA-N
Compound name
1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)-3-(trifluoromethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.1081 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.11538 205.4
[M+Na]+ 489.09732 210.0
[M-H]- 465.10082 205.2
[M+NH4]+ 484.14192 213.5
[M+K]+ 505.07126 207.8
[M+H-H2O]+ 449.10536 189.8
[M+HCOO]- 511.10630 226.0
[M+CH3COO]- 525.12195 240.0
[M+Na-2H]- 487.08277 202.8
[M]+ 466.10755 203.6
[M]- 466.10865 203.6
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.