CID 146048589

2227888-23-3

Structural Information

Molecular Formula
C7H9F3N2O
SMILES
C[C@@H](C1=CN(N=C1C(F)(F)F)C)O
InChI
InChI=1S/C7H9F3N2O/c1-4(13)5-3-12(2)11-6(5)7(8,9)10/h3-4,13H,1-2H3/t4-/m0/s1
InChIKey
OHTDWUNCSWIVTI-BYPYZUCNSA-N
Compound name
(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0667 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.073976 136.3
[M+Na]+ 217.055918 146.3
[M-H]- 193.059424 132.9
[M+NH4]+ 212.100523 154.7
[M+K]+ 233.029858 144.1
[M+H-H2O]+ 177.063960 128.0
[M+HCOO]- 239.064901 152.6
[M+CH3COO]- 253.080551 181.2
[M+Na-2H]- 215.041366 139.1
[M]+ 194.06615142 132.8
[M]- 194.06724858 132.8
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.