CID 62290635

1955554-10-5

Structural Information

Molecular Formula
C7H8F3N3O
SMILES
C1=CC(=NN=C1CN)OCC(F)(F)F
InChI
InChI=1S/C7H8F3N3O/c8-7(9,10)4-14-6-2-1-5(3-11)12-13-6/h1-2H,3-4,11H2
InChIKey
PVMJHRZSVVDHMC-UHFFFAOYSA-N
Compound name
[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06195 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.069226 139.8
[M+Na]+ 230.051168 148.8
[M-H]- 206.054674 136.6
[M+NH4]+ 225.095773 155.6
[M+K]+ 246.025108 146.1
[M+H-H2O]+ 190.059210 130.0
[M+HCOO]- 252.060151 158.2
[M+CH3COO]- 266.075801 185.9
[M+Na-2H]- 228.036616 146.6
[M]+ 207.06140142 135.9
[M]- 207.06249858 135.9
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.