CID 2724914

1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C5H5F3N2O
SMILES
CN1C(=CC(=O)N1)C(F)(F)F
InChI
InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11)
InChIKey
QEHXHKNBIGEWIH-UHFFFAOYSA-N
Compound name
2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

218
Patents

166.0354 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04268 126.4
[M+Na]+ 189.02462 137.7
[M-H]- 165.02812 123.1
[M+NH4]+ 184.06922 145.9
[M+K]+ 204.99856 134.9
[M+H-H2O]+ 149.03266 118.3
[M+HCOO]- 211.03360 144.5
[M+CH3COO]- 225.04925 173.5
[M+Na-2H]- 187.01007 131.3
[M]+ 166.03485 122.0
[M]- 166.03595 122.0
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.