CID 3040210

Brn 0794076

Structural Information

Molecular Formula
C9H5Cl2N3O2
SMILES
C1=CC(=C(C=C1C(=O)C2=NOC(=N2)N)Cl)Cl
InChI
InChI=1S/C9H5Cl2N3O2/c10-5-2-1-4(3-6(5)11)7(15)8-13-9(12)16-14-8/h1-3H,(H2,12,13,14)
InChIKey
SKJOLNCFOWTFHH-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9759 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.98318 151.5
[M+Na]+ 279.96512 162.9
[M-H]- 255.96862 156.0
[M+NH4]+ 275.00972 167.0
[M+K]+ 295.93906 158.5
[M+H-H2O]+ 239.97316 144.5
[M+HCOO]- 301.97410 164.7
[M+CH3COO]- 315.98975 164.2
[M+Na-2H]- 277.95057 154.8
[M]+ 256.97535 155.1
[M]- 256.97645 155.1
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

patents stripe