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 178.7
[M+Na]+ 369.08215 188.3
[M-H]- 345.08565 182.1
[M+NH4]+ 364.12675 188.6
[M+K]+ 385.05609 181.7
[M+H-H2O]+ 329.09019 165.3
[M+HCOO]- 391.09113 195.7
[M+CH3COO]- 405.10678 209.9
[M+Na-2H]- 367.06760 183.5
[M]+ 346.09238 176.7
[M]- 346.09348 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.