CID 3073144

146824-74-0

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
CC1=CC(=O)C(=O)NN1C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-7-5-10(18)11(19)16-17(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,19)
InChIKey
WRKXBGZHBMGSON-UHFFFAOYSA-N
Compound name
3-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyridazine-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.0616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06888 155.0
[M+Na]+ 293.05082 166.9
[M-H]- 269.05432 155.1
[M+NH4]+ 288.09542 168.5
[M+K]+ 309.02476 161.1
[M+H-H2O]+ 253.05886 144.7
[M+HCOO]- 315.05980 171.7
[M+CH3COO]- 329.07545 194.0
[M+Na-2H]- 291.03627 159.6
[M]+ 270.06105 151.6
[M]- 270.06215 151.6
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