CID 138006644

2241128-56-1

Structural Information

Molecular Formula
C6H8F3N3O
SMILES
C1=NNC(=C1OCCN)C(F)(F)F
InChI
InChI=1S/C6H8F3N3O/c7-6(8,9)5-4(3-11-12-5)13-2-1-10/h3H,1-2,10H2,(H,11,12)
InChIKey
BEXPFLQOEMRSRN-UHFFFAOYSA-N
Compound name
2-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06195 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06923 135.6
[M+Na]+ 218.05117 144.3
[M-H]- 194.05467 131.1
[M+NH4]+ 213.09577 153.0
[M+K]+ 234.02511 141.5
[M+H-H2O]+ 178.05921 126.4
[M+HCOO]- 240.06015 153.6
[M+CH3COO]- 254.07580 180.4
[M+Na-2H]- 216.03662 140.2
[M]+ 195.06140 130.1
[M]- 195.06250 130.1
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

No patent data available for this compound.