CID 124707038

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

Structural Information

Molecular Formula
C6H7F3N2O
SMILES
CN1C(=C(C=N1)C(F)(F)F)CO
InChI
InChI=1S/C6H7F3N2O/c1-11-5(3-12)4(2-10-11)6(7,8)9/h2,12H,3H2,1H3
InChIKey
WSQPJUKEQWOPNH-UHFFFAOYSA-N
Compound name
[2-methyl-4-(trifluoromethyl)pyrazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.05104 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05832 131.8
[M+Na]+ 203.04026 142.4
[M-H]- 179.04376 128.4
[M+NH4]+ 198.08486 150.8
[M+K]+ 219.01420 140.1
[M+H-H2O]+ 163.04830 123.6
[M+HCOO]- 225.04924 149.4
[M+CH3COO]- 239.06489 177.4
[M+Na-2H]- 201.02571 136.3
[M]+ 180.05049 128.5
[M]- 180.05159 128.5
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.