CID 2739757

255876-54-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

71
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

literature stripe

Patent stripe

patents stripe