CID 82048938

Sodium 5-(4-chlorophenyl)-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC(=CC=C1C2=CN=C(O2)C(=O)O)Cl
InChI
InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)8-5-12-9(15-8)10(13)14/h1-5H,(H,13,14)
InChIKey
ADODKNPTCRCQJX-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1,3-oxazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 143.1
[M+Na]+ 245.99284 157.3
[M+NH4]+ 241.03744 150.9
[M+K]+ 261.96678 153.5
[M-H]- 221.99634 146.5
[M+Na-2H]- 243.97829 150.2
[M]+ 223.00307 146.3
[M]- 223.00417 146.3
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.