CID 63962847

1343199-34-7

Structural Information

Molecular Formula
C6H7F3N2O
SMILES
CN1C(=CC=N1)C(C(F)(F)F)O
InChI
InChI=1S/C6H7F3N2O/c1-11-4(2-3-10-11)5(12)6(7,8)9/h2-3,5,12H,1H3
InChIKey
ALLGRHSYCXIDNW-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.05104 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05832 139.2
[M+Na]+ 203.04026 146.4
[M+NH4]+ 198.08486 143.6
[M+K]+ 219.01420 144.9
[M-H]- 179.04376 133.6
[M+Na-2H]- 201.02571 141.4
[M]+ 180.05049 138.1
[M]- 180.05159 138.1
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.