CID 2783031

1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
C1=CC(=CC(=C1)N2C=C(C=N2)O)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H
InChIKey
SGZRMGCFXYGLQZ-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

228.05104 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 143.7
[M+Na]+ 251.04026 154.0
[M-H]- 227.04376 143.4
[M+NH4]+ 246.08486 160.4
[M+K]+ 267.01420 149.7
[M+H-H2O]+ 211.04830 134.0
[M+HCOO]- 273.04924 161.5
[M+CH3COO]- 287.06489 184.9
[M+Na-2H]- 249.02571 148.4
[M]+ 228.05049 139.6
[M]- 228.05159 139.6
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

patents stripe