CID 3040209

Brn 0792456

Structural Information

Molecular Formula
C9H6FN3O2
SMILES
C1=CC(=CC=C1C(=O)C2=NOC(=N2)N)F
InChI
InChI=1S/C9H6FN3O2/c10-6-3-1-5(2-4-6)7(14)8-12-9(11)15-13-8/h1-4H,(H2,11,12,13)
InChIKey
RWLLYCNOJAXKCH-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0444 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.051676 140.0
[M+Na]+ 230.033618 149.8
[M-H]- 206.037124 143.9
[M+NH4]+ 225.078223 156.1
[M+K]+ 246.007558 147.9
[M+H-H2O]+ 190.041660 131.2
[M+HCOO]- 252.042601 162.3
[M+CH3COO]- 266.058251 185.6
[M+Na-2H]- 228.019066 145.1
[M]+ 207.04385142 139.3
[M]- 207.04494858 139.3
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.