CID 60906831

4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid

Structural Information

Molecular Formula
C12H10Cl2N2O3
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NN=C(O2)CCCC(=O)O
InChI
InChI=1S/C12H10Cl2N2O3/c13-7-4-5-8(9(14)6-7)12-16-15-10(19-12)2-1-3-11(17)18/h4-6H,1-3H2,(H,17,18)
InChIKey
FEPZCFXCIXMZHY-UHFFFAOYSA-N
Compound name
4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

300.00684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.01412 161.9
[M+Na]+ 322.99606 172.3
[M-H]- 298.99956 165.1
[M+NH4]+ 318.04066 175.6
[M+K]+ 338.97000 167.5
[M+H-H2O]+ 283.00410 154.8
[M+HCOO]- 345.00504 172.4
[M+CH3COO]- 359.02069 196.6
[M+Na-2H]- 320.98151 164.0
[M]+ 300.00629 167.7
[M]- 300.00739 167.7
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