CID 3073153

146824-83-1

Structural Information

Molecular Formula
C18H13F3N2O2
SMILES
C1=CC=C(C=C1)COC2=NN(C=CC2=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H13F3N2O2/c19-18(20,21)14-7-4-8-15(11-14)23-10-9-16(24)17(22-23)25-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKey
AVMFZGAPUSUDOR-UHFFFAOYSA-N
Compound name
3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09293 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10021 180.1
[M+Na]+ 369.08215 193.1
[M+NH4]+ 364.12675 184.8
[M+K]+ 385.05609 185.8
[M-H]- 345.08565 180.3
[M+Na-2H]- 367.06760 188.5
[M]+ 346.09238 181.9
[M]- 346.09348 181.9
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.