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

22
Patents

194.0667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.073976 137.9
[M+Na]+ 217.055918 147.0
[M-H]- 193.059424 132.9
[M+NH4]+ 212.100523 155.3
[M+K]+ 233.029858 144.0
[M+H-H2O]+ 177.063960 130.1
[M+HCOO]- 239.064901 152.0
[M+CH3COO]- 253.080551 177.1
[M+Na-2H]- 215.041366 142.9
[M]+ 194.06615142 132.0
[M]- 194.06724858 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