CID 23205019

[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol

Structural Information

Molecular Formula
C9H7FN2O2
SMILES
C1=CC(=CC=C1C2=NC(=NO2)CO)F
InChI
InChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2
InChIKey
USFDLNBWFJBASE-UHFFFAOYSA-N
Compound name
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04915 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05643 139.4
[M+Na]+ 217.03837 152.4
[M+NH4]+ 212.08297 146.4
[M+K]+ 233.01231 148.8
[M-H]- 193.04187 141.2
[M+Na-2H]- 215.02382 146.1
[M]+ 194.04860 141.6
[M]- 194.04970 141.6
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.