CID 23008030

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoic acid

Structural Information

Molecular Formula
C15H9ClN2O3
SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C15H9ClN2O3/c16-10-7-5-9(6-8-10)13-17-14(21-18-13)11-3-1-2-4-12(11)15(19)20/h1-8H,(H,19,20)
InChIKey
GAUSLVKXUDKOGQ-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.03018 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03746 164.4
[M+Na]+ 323.01940 174.6
[M-H]- 299.02290 171.7
[M+NH4]+ 318.06400 177.1
[M+K]+ 338.99334 169.9
[M+H-H2O]+ 283.02744 155.7
[M+HCOO]- 345.02838 180.5
[M+CH3COO]- 359.04403 176.4
[M+Na-2H]- 321.00485 167.8
[M]+ 300.02963 168.0
[M]- 300.03073 168.0
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.