CID 84648939

[1-(2-fluoroethyl)-1h-pyrazol-5-yl]methanol

Structural Information

Molecular Formula
C6H9FN2O
SMILES
C1=C(N(N=C1)CCF)CO
InChI
InChI=1S/C6H9FN2O/c7-2-4-9-6(5-10)1-3-8-9/h1,3,10H,2,4-5H2
InChIKey
NGITXENVHSFDTR-UHFFFAOYSA-N
Compound name
[2-(2-fluoroethyl)pyrazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.06989 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07717 126.5
[M+Na]+ 167.05911 135.6
[M-H]- 143.06261 124.9
[M+NH4]+ 162.10371 146.6
[M+K]+ 183.03305 133.8
[M+H-H2O]+ 127.06715 119.0
[M+HCOO]- 189.06809 147.8
[M+CH3COO]- 203.08374 170.9
[M+Na-2H]- 165.04456 132.1
[M]+ 144.06934 125.8
[M]- 144.07044 125.8
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.