CID 19622838

1197235-31-6

Structural Information

Molecular Formula

C₆H₈F₃N₃O

SMILES

COC1=NN(C=C1N)CC(F)(F)F

InChI

InChI=1S/C6H8F3N3O/c1-13-5-4(10)2-12(11-5)3-6(7,8)9/h2H,3,10H2,1H3

InChIKey

YQAGKQDSROCYTM-UHFFFAOYSA-N

Compound name

3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 195.06195 Da
Monoisotopic Mass: 0.9
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]+	196.06923	140.5
[M+Na]+	218.05117	147.4
[M+NH4]+	213.09577	144.8
[M+K]+	234.02511	145.8
[M-H]-	194.05467	135.7
[M+Na-2H]-	216.03662	142.7
[M]+	195.06140	139.6
[M]-	195.06250	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe