CID 10221045

133220-91-4

Structural Information

Molecular Formula
C12H10F3N3O
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C12H10F3N3O/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17)
InChIKey
MRMGTEKECRMLOG-UHFFFAOYSA-N
Compound name
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

269.0776 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08488 157.4
[M+Na]+ 292.06682 168.7
[M-H]- 268.07032 158.3
[M+NH4]+ 287.11142 171.1
[M+K]+ 308.04076 163.3
[M+H-H2O]+ 252.07486 146.6
[M+HCOO]- 314.07580 175.7
[M+CH3COO]- 328.09145 199.5
[M+Na-2H]- 290.05227 161.8
[M]+ 269.07705 153.4
[M]- 269.07815 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe