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]+ 208.06923 139.8
[M+Na]+ 230.05117 148.8
[M-H]- 206.05467 136.6
[M+NH4]+ 225.09577 155.6
[M+K]+ 246.02511 146.1
[M+H-H2O]+ 190.05921 130.0
[M+HCOO]- 252.06015 158.2
[M+CH3COO]- 266.07580 185.9
[M+Na-2H]- 228.03662 146.6
[M]+ 207.06140 135.9
[M]- 207.06250 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.