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]+ 224.02213 144.7
[M+Na]+ 246.00407 155.0
[M-H]- 222.00757 149.7
[M+NH4]+ 241.04867 161.0
[M+K]+ 261.97801 151.9
[M+H-H2O]+ 206.01211 137.2
[M+HCOO]- 268.01305 163.2
[M+CH3COO]- 282.02870 186.7
[M+Na-2H]- 243.98952 149.7
[M]+ 223.01430 147.0
[M]- 223.01540 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.