CID 58230786

2-(3-(trifluoromethyl)-1h-pyrazol-4-yl)propan-2-ol

Structural Information

Molecular Formula
C7H9F3N2O
SMILES
CC(C)(C1=C(NN=C1)C(F)(F)F)O
InChI
InChI=1S/C7H9F3N2O/c1-6(2,13)4-3-11-12-5(4)7(8,9)10/h3,13H,1-2H3,(H,11,12)
InChIKey
XSXAXEAEHSKMCS-UHFFFAOYSA-N
Compound name
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

194.0667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07398 137.9
[M+Na]+ 217.05592 147.0
[M-H]- 193.05942 132.9
[M+NH4]+ 212.10052 155.3
[M+K]+ 233.02986 144.0
[M+H-H2O]+ 177.06396 130.1
[M+HCOO]- 239.06490 152.0
[M+CH3COO]- 253.08055 177.1
[M+Na-2H]- 215.04137 142.9
[M]+ 194.06615 132.0
[M]- 194.06725 132.0
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

patents stripe