CID 117124790

1894317-53-3

Structural Information

Molecular Formula
C11H9F3N2O
SMILES
C1=CC=C(C(=C1)CN2C=C(C=N2)O)C(F)(F)F
InChI
InChI=1S/C11H9F3N2O/c12-11(13,14)10-4-2-1-3-8(10)6-16-7-9(17)5-15-16/h1-5,7,17H,6H2
InChIKey
AFKXMELXFVZADA-UHFFFAOYSA-N
Compound name
1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07398 148.4
[M+Na]+ 265.05592 158.3
[M-H]- 241.05942 147.9
[M+NH4]+ 260.10052 164.5
[M+K]+ 281.02986 153.7
[M+H-H2O]+ 225.06396 138.4
[M+HCOO]- 287.06490 165.8
[M+CH3COO]- 301.08055 187.9
[M+Na-2H]- 263.04137 152.5
[M]+ 242.06615 144.6
[M]- 242.06725 144.6
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.