CID 3040208

Brn 0792457

Structural Information

Molecular Formula
C9H6ClN3O2
SMILES
C1=CC(=CC=C1C(=O)C2=NOC(=N2)N)Cl
InChI
InChI=1S/C9H6ClN3O2/c10-6-3-1-5(2-4-6)7(14)8-12-9(11)15-13-8/h1-4H,(H2,11,12,13)
InChIKey
FATUMUILSZVFDF-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.01485 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.022126 144.7
[M+Na]+ 246.004068 155.0
[M-H]- 222.007574 149.7
[M+NH4]+ 241.048673 161.0
[M+K]+ 261.978008 151.9
[M+H-H2O]+ 206.012110 137.2
[M+HCOO]- 268.013051 163.2
[M+CH3COO]- 282.028701 186.7
[M+Na-2H]- 243.989516 149.7
[M]+ 223.01430142 147.0
[M]- 223.01539858 147.0
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.