CID 122163750

[4-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]methanol

Structural Information

Molecular Formula
C6H7F3N2O
SMILES
CC1=C(NN=C1C(F)(F)F)CO
InChI
InChI=1S/C6H7F3N2O/c1-3-4(2-12)10-11-5(3)6(7,8)9/h12H,2H2,1H3,(H,10,11)
InChIKey
WJQGPRJXZGEUSV-UHFFFAOYSA-N
Compound name
[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.05104 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05832 139.5
[M+Na]+ 203.04026 146.9
[M+NH4]+ 198.08486 143.8
[M+K]+ 219.01420 145.1
[M-H]- 179.04376 133.7
[M+Na-2H]- 201.02571 141.2
[M]+ 180.05049 138.4
[M]- 180.05159 138.4
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