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]+ 208.05168 140.0
[M+Na]+ 230.03362 149.8
[M-H]- 206.03712 143.9
[M+NH4]+ 225.07822 156.1
[M+K]+ 246.00756 147.9
[M+H-H2O]+ 190.04166 131.2
[M+HCOO]- 252.04260 162.3
[M+CH3COO]- 266.05825 185.6
[M+Na-2H]- 228.01907 145.1
[M]+ 207.04385 139.3
[M]- 207.04495 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.