CID 135480523

185557-63-5

Structural Information

Molecular Formula
C8H5FN2O2
SMILES
C1=CC(=CC=C1C2=NOC(=O)N2)F
InChI
InChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12)
InChIKey
ZBECIGMDRLTGJI-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.03351 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04079 131.0
[M+Na]+ 203.02273 142.0
[M-H]- 179.02623 134.0
[M+NH4]+ 198.06733 148.2
[M+K]+ 218.99667 139.4
[M+H-H2O]+ 163.03077 123.0
[M+HCOO]- 225.03171 152.7
[M+CH3COO]- 239.04736 145.0
[M+Na-2H]- 201.00818 137.9
[M]+ 180.03296 130.4
[M]- 180.03406 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe