CID 731146

439108-15-3

Structural Information

Molecular Formula
C12H11ClN2O3
SMILES
C1=CC(=CC=C1C2=NOC(=N2)CCCC(=O)O)Cl
InChI
InChI=1S/C12H11ClN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)
InChIKey
ROMPPAWVATWIKR-UHFFFAOYSA-N
Compound name
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1124
Patents

266.0458 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05308 156.3
[M+Na]+ 289.03502 165.6
[M-H]- 265.03852 159.9
[M+NH4]+ 284.07962 170.6
[M+K]+ 305.00896 161.9
[M+H-H2O]+ 249.04306 148.6
[M+HCOO]- 311.04400 172.1
[M+CH3COO]- 325.05965 190.9
[M+Na-2H]- 287.02047 159.8
[M]+ 266.04525 160.8
[M]- 266.04635 160.8
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.