CID 3073145

146824-75-1

Structural Information

Molecular Formula
C13H11F3N2O2
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OC
InChI
InChI=1S/C13H11F3N2O2/c1-8-6-11(19)12(20-2)17-18(8)10-5-3-4-9(7-10)13(14,15)16/h3-7H,1-2H3
InChIKey
KXRJCNLYMUVISK-UHFFFAOYSA-N
Compound name
3-methoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.07727 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08455 160.0
[M+Na]+ 307.06649 171.6
[M-H]- 283.06999 161.2
[M+NH4]+ 302.11109 173.6
[M+K]+ 323.04043 167.0
[M+H-H2O]+ 267.07453 149.0
[M+HCOO]- 329.07547 177.7
[M+CH3COO]- 343.09112 200.2
[M+Na-2H]- 305.05194 164.6
[M]+ 284.07672 159.4
[M]- 284.07782 159.4
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

patents stripe