CID 61490885

1-[2-(2,2,2-trifluoroethoxy)ethyl]-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C7H10F3N3O
SMILES
C1=CN(N=C1N)CCOCC(F)(F)F
InChI
InChI=1S/C7H10F3N3O/c8-7(9,10)5-14-4-3-13-2-1-6(11)12-13/h1-2H,3-5H2,(H2,11,12)
InChIKey
JUCKDMKZEHTOTN-UHFFFAOYSA-N
Compound name
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07759 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08487 139.8
[M+Na]+ 232.06681 148.5
[M-H]- 208.07031 136.6
[M+NH4]+ 227.11141 157.4
[M+K]+ 248.04075 146.4
[M+H-H2O]+ 192.07485 130.2
[M+HCOO]- 254.07579 159.0
[M+CH3COO]- 268.09144 186.0
[M+Na-2H]- 230.05226 144.4
[M]+ 209.07704 136.7
[M]- 209.07814 136.7
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.