CID 385507

Nsc676756

Structural Information

Molecular Formula
C19H21F4N2O4P
SMILES
CCOP(=O)(C(C1=CC=CC=C1)N(C2=CC(=CC=C2)F)C(=O)NC(F)(F)F)OCC
InChI
InChI=1S/C19H21F4N2O4P/c1-3-28-30(27,29-4-2)17(14-9-6-5-7-10-14)25(18(26)24-19(21,22)23)16-12-8-11-15(20)13-16/h5-13,17H,3-4H2,1-2H3,(H,24,26)
InChIKey
PQWRCUMFPROHTH-UHFFFAOYSA-N
Compound name
1-[diethoxyphosphoryl(phenyl)methyl]-1-(3-fluorophenyl)-3-(trifluoromethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12478 202.3
[M+Na]+ 471.10672 206.0
[M-H]- 447.11022 203.2
[M+NH4]+ 466.15132 211.0
[M+K]+ 487.08066 204.2
[M+H-H2O]+ 431.11476 187.5
[M+HCOO]- 493.11570 224.1
[M+CH3COO]- 507.13135 236.1
[M+Na-2H]- 469.09217 201.0
[M]+ 448.11695 201.4
[M]- 448.11805 201.4
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.