CID 54978509

2,2,2-trifluoro-1-(1-phenyl-1h-pyrazol-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H9F3N2O
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C(C(F)(F)F)O
InChI
InChI=1S/C11H9F3N2O/c12-11(13,14)10(17)8-6-15-16(7-8)9-4-2-1-3-5-9/h1-7,10,17H
InChIKey
FFYRLQHGYWNWAI-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.0667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07398 153.4
[M+Na]+ 265.05592 162.4
[M+NH4]+ 260.10052 158.3
[M+K]+ 281.02986 159.5
[M-H]- 241.05942 150.3
[M+Na-2H]- 263.04137 158.3
[M]+ 242.06615 153.5
[M]- 242.06725 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.