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]+ 347.100206 178.7
[M+Na]+ 369.082148 188.3
[M-H]- 345.085654 182.1
[M+NH4]+ 364.126753 188.6
[M+K]+ 385.056088 181.7
[M+H-H2O]+ 329.090190 165.3
[M+HCOO]- 391.091131 195.7
[M+CH3COO]- 405.106781 209.9
[M+Na-2H]- 367.067596 183.5
[M]+ 346.09238142 176.7
[M]- 346.09347858 176.7
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.