CID 126973841

2,2,2-trifluoro-1-[1-(propan-2-yl)-1h-pyrazol-5-yl]ethan-1-ol

Structural Information

Molecular Formula
C8H11F3N2O
SMILES
CC(C)N1C(=CC=N1)C(C(F)(F)F)O
InChI
InChI=1S/C8H11F3N2O/c1-5(2)13-6(3-4-12-13)7(14)8(9,10)11/h3-5,7,14H,1-2H3
InChIKey
JSZPOTCLFWMSBZ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08963 141.2
[M+Na]+ 231.07157 149.5
[M-H]- 207.07507 137.3
[M+NH4]+ 226.11617 158.6
[M+K]+ 247.04551 147.6
[M+H-H2O]+ 191.07961 132.4
[M+HCOO]- 253.08055 156.2
[M+CH3COO]- 267.09620 183.9
[M+Na-2H]- 229.05702 143.0
[M]+ 208.08180 137.0
[M]- 208.08290 137.0
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.