CID 62234801

2-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC=C(C(=C1)C2=NC(=CO2)C(=O)O)Cl
InChI
InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKey
JCTPIMMYZXXKLG-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

223.00362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.010896 142.8
[M+Na]+ 245.992838 153.2
[M-H]- 221.996344 148.4
[M+NH4]+ 241.037443 160.4
[M+K]+ 261.966778 150.1
[M+H-H2O]+ 206.000880 136.9
[M+HCOO]- 268.001821 160.8
[M+CH3COO]- 282.017471 182.2
[M+Na-2H]- 243.978286 147.7
[M]+ 223.00307142 146.3
[M]- 223.00416858 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

patents stripe