CID 45926014

1048389-82-7

Structural Information

Molecular Formula

C₉H₁₄F₃N₃

SMILES

CC(C)(C)C1=NN(C(=C1)N)CC(F)(F)F

InChI

InChI=1S/C9H14F3N3/c1-8(2,3)6-4-7(13)15(14-6)5-9(10,11)12/h4H,5,13H2,1-3H3

InChIKey

ULDPQKCPIAKINS-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 221.11398 Da
Monoisotopic Mass: 2.6
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]+	222.12126	147.3
[M+Na]+	244.10320	156.7
[M-H]-	220.10670	144.6
[M+NH4]+	239.14780	164.9
[M+K]+	260.07714	154.0
[M+H-H2O]+	204.11124	138.6
[M+HCOO]-	266.11218	163.9
[M+CH3COO]-	280.12783	191.0
[M+Na-2H]-	242.08865	150.8
[M]+	221.11343	143.0
[M]-	221.11453	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe