CID 146155261

2416230-53-8

Structural Information

Molecular Formula
C7H10F3N3O
SMILES
CN1C=C(C(=N1)C(F)(F)F)OCCN
InChI
InChI=1S/C7H10F3N3O/c1-13-4-5(14-3-2-11)6(12-13)7(8,9)10/h4H,2-3,11H2,1H3
InChIKey
XXBNOROHHIGFMY-UHFFFAOYSA-N
Compound name
2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07759 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08487 140.1
[M+Na]+ 232.06681 149.7
[M-H]- 208.07031 137.3
[M+NH4]+ 227.11141 158.0
[M+K]+ 248.04075 147.6
[M+H-H2O]+ 192.07485 130.8
[M+HCOO]- 254.07579 159.2
[M+CH3COO]- 268.09144 187.2
[M+Na-2H]- 230.05226 143.9
[M]+ 209.07704 137.3
[M]- 209.07814 137.3
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.