CID 138991109

6-[1,1-difluoro-2-(1h-pyrazol-1-yl)ethyl]pyridin-3-ol

Structural Information

Molecular Formula
C10H9F2N3O
SMILES
C1=CN(N=C1)CC(C2=NC=C(C=C2)O)(F)F
InChI
InChI=1S/C10H9F2N3O/c11-10(12,7-15-5-1-4-14-15)9-3-2-8(16)6-13-9/h1-6,16H,7H2
InChIKey
LHWFJPCRKFEHMK-UHFFFAOYSA-N
Compound name
6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07137 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.078646 145.6
[M+Na]+ 248.060588 154.8
[M-H]- 224.064094 144.8
[M+NH4]+ 243.105193 160.6
[M+K]+ 264.034528 150.8
[M+H-H2O]+ 208.068630 135.6
[M+HCOO]- 270.069571 163.0
[M+CH3COO]- 284.085221 184.5
[M+Na-2H]- 246.046036 151.5
[M]+ 225.07082142 142.8
[M]- 225.07191858 142.8
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.