CID 10632936

Lithium(1+) 5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C9H5ClN2O3
SMILES
C1=CC(=CC=C1C2=NN=C(O2)C(=O)O)Cl
InChI
InChI=1S/C9H5ClN2O3/c10-6-3-1-5(2-4-6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14)
InChIKey
ASSVYHKYJOKDQY-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

223.99887 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.006146 142.2
[M+Na]+ 246.988088 152.9
[M-H]- 222.991594 146.4
[M+NH4]+ 242.032693 158.3
[M+K]+ 262.962028 149.9
[M+H-H2O]+ 206.996130 135.2
[M+HCOO]- 268.997071 159.1
[M+CH3COO]- 283.012721 182.0
[M+Na-2H]- 244.973536 147.4
[M]+ 223.99832142 145.7
[M]- 223.99941858 145.7
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