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 148.2
[M+Na]+ 265.05592 156.8
[M-H]- 241.05942 147.5
[M+NH4]+ 260.10052 163.9
[M+K]+ 281.02986 152.8
[M+H-H2O]+ 225.06396 138.1
[M+HCOO]- 287.06490 164.6
[M+CH3COO]- 301.08055 187.6
[M+Na-2H]- 263.04137 151.9
[M]+ 242.06615 143.4
[M]- 242.06725 143.4
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.