CID 137942765

2287312-31-4

Structural Information

Molecular Formula

C₅H₆F₃N₃O

SMILES

C1=NNC(=C1N)OCC(F)(F)F

InChI

InChI=1S/C5H6F3N3O/c6-5(7,8)2-12-4-3(9)1-10-11-4/h1H,2,9H2,(H,10,11)

InChIKey

WXXITYBDEAMUBV-UHFFFAOYSA-N

Compound name

5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.0463 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.05358	131.0
[M+Na]+	204.03552	140.1
[M-H]-	180.03902	126.7
[M+NH4]+	199.08012	148.9
[M+K]+	220.00946	137.6
[M+H-H2O]+	164.04356	122.0
[M+HCOO]-	226.04450	149.3
[M+CH3COO]-	240.06015	177.4
[M+Na-2H]-	202.02097	136.1
[M]+	181.04575	125.2
[M]-	181.04685	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe