CID 3073152

4(1h)-pyridazinone, 3-methoxy-1-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
COC1=NN(C=CC1=O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-19-11-10(18)5-6-17(16-11)9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3
InChIKey
WUNKIZHCEIZRCI-UHFFFAOYSA-N
Compound name
3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0616 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.068876 155.4
[M+Na]+ 293.050818 166.5
[M-H]- 269.054324 156.4
[M+NH4]+ 288.095423 169.3
[M+K]+ 309.024758 162.1
[M+H-H2O]+ 253.058860 144.3
[M+HCOO]- 315.059801 173.4
[M+CH3COO]- 329.075451 196.0
[M+Na-2H]- 291.036266 161.2
[M]+ 270.06105142 154.1
[M]- 270.06214858 154.1
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.