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]+ 226.07865 145.6
[M+Na]+ 248.06059 154.8
[M-H]- 224.06409 144.8
[M+NH4]+ 243.10519 160.6
[M+K]+ 264.03453 150.8
[M+H-H2O]+ 208.06863 135.6
[M+HCOO]- 270.06957 163.0
[M+CH3COO]- 284.08522 184.5
[M+Na-2H]- 246.04604 151.5
[M]+ 225.07082 142.8
[M]- 225.07192 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.