CID 4128171

Kkl-35

Structural Information

Molecular Formula
C15H9ClFN3O2
SMILES
C1=CC(=CC=C1C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C15H9ClFN3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKey
ZIICPNCCHIUJSX-UHFFFAOYSA-N
Compound name
4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

317.03674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04402 168.8
[M+Na]+ 340.02596 178.9
[M-H]- 316.02946 176.0
[M+NH4]+ 335.07056 181.3
[M+K]+ 355.99990 173.7
[M+H-H2O]+ 300.03400 158.7
[M+HCOO]- 362.03494 186.2
[M+CH3COO]- 376.05059 180.5
[M+Na-2H]- 338.01141 172.6
[M]+ 317.03619 171.2
[M]- 317.03729 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe