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]+ 220.069226 145.0
[M+Na]+ 242.051168 154.2
[M-H]- 218.054674 138.8
[M+NH4]+ 237.095773 159.1
[M+K]+ 258.025108 148.7
[M+H-H2O]+ 202.059210 135.3
[M+HCOO]- 264.060151 155.3
[M+CH3COO]- 278.075801 181.1
[M+Na-2H]- 240.036616 151.3
[M]+ 219.06140142 135.8
[M]- 219.06249858 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.