CID 66263014

(1s)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-ol

Structural Information

Molecular Formula
C10H9FN2O2
SMILES
C[C@@H](C1=NC(=NO1)C2=CC(=CC=C2)F)O
InChI
InChI=1S/C10H9FN2O2/c1-6(14)10-12-9(13-15-10)7-3-2-4-8(11)5-7/h2-6,14H,1H3/t6-/m0/s1
InChIKey
JAKUXLYGBOOPHJ-LURJTMIESA-N
Compound name
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07208 141.3
[M+Na]+ 231.05402 150.8
[M-H]- 207.05752 144.1
[M+NH4]+ 226.09862 157.3
[M+K]+ 247.02796 148.9
[M+H-H2O]+ 191.06206 132.9
[M+HCOO]- 253.06300 161.1
[M+CH3COO]- 267.07865 182.6
[M+Na-2H]- 229.03947 145.9
[M]+ 208.06425 141.5
[M]- 208.06535 141.5
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.