CID 137943119

2287274-40-0

Structural Information

Molecular Formula
C8H8F3N3O
SMILES
C1CNCC2=C1C(=O)NN=C2C(F)(F)F
InChI
InChI=1S/C8H8F3N3O/c9-8(10,11)6-5-3-12-2-1-4(5)7(15)14-13-6/h12H,1-3H2,(H,14,15)
InChIKey
MUDSGPHDHYZXGM-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06195 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06923 145.0
[M+Na]+ 242.05117 154.2
[M-H]- 218.05467 138.8
[M+NH4]+ 237.09577 159.1
[M+K]+ 258.02511 148.7
[M+H-H2O]+ 202.05921 135.3
[M+HCOO]- 264.06015 155.3
[M+CH3COO]- 278.07580 181.1
[M+Na-2H]- 240.03662 151.3
[M]+ 219.06140 135.8
[M]- 219.06250 135.8
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.