CID 53976045

3-(trifluoromethyl)-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C4H3F3N2O
SMILES
C1=NNC(=C1O)C(F)(F)F
InChI
InChI=1S/C4H3F3N2O/c5-4(6,7)3-2(10)1-8-9-3/h1,10H,(H,8,9)
InChIKey
JUZMUPCRIGXYQZ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02702 123.4
[M+Na]+ 175.00896 133.4
[M-H]- 151.01246 118.4
[M+NH4]+ 170.05356 142.4
[M+K]+ 190.98290 130.7
[M+H-H2O]+ 135.01700 115.4
[M+HCOO]- 197.01794 140.1
[M+CH3COO]- 211.03359 167.5
[M+Na-2H]- 172.99441 129.1
[M]+ 152.01919 117.1
[M]- 152.02029 117.1
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.