CID 75175981

2-(1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl)ethanol

Structural Information

Molecular Formula
C7H9F3N2O
SMILES
CN1C(=CC(=N1)CCO)C(F)(F)F
InChI
InChI=1S/C7H9F3N2O/c1-12-6(7(8,9)10)4-5(11-12)2-3-13/h4,13H,2-3H2,1H3
InChIKey
WPFFQYSSGJPIFK-UHFFFAOYSA-N
Compound name
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.073976 136.5
[M+Na]+ 217.055918 146.7
[M-H]- 193.059424 132.9
[M+NH4]+ 212.100523 154.9
[M+K]+ 233.029858 144.1
[M+H-H2O]+ 177.063960 128.0
[M+HCOO]- 239.064901 153.8
[M+CH3COO]- 253.080551 180.4
[M+Na-2H]- 215.041366 140.5
[M]+ 194.06615142 133.6
[M]- 194.06724858 133.6
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.