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]+ 195.056426 136.2
[M+Na]+ 217.038368 146.5
[M-H]- 193.041874 139.1
[M+NH4]+ 212.082973 152.9
[M+K]+ 233.012308 144.3
[M+H-H2O]+ 177.046410 127.9
[M+HCOO]- 239.047351 157.4
[M+CH3COO]- 253.063001 178.7
[M+Na-2H]- 215.023816 142.6
[M]+ 194.04860142 136.6
[M]- 194.04969858 136.6
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.