CID 28692742

2-(2-chlorophenyl)-1,3-benzoxazole-5-carboxylic acid

Structural Information

Molecular Formula
C14H8ClNO3
SMILES
C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)O)Cl
InChI
InChI=1S/C14H8ClNO3/c15-10-4-2-1-3-9(10)13-16-11-7-8(14(17)18)5-6-12(11)19-13/h1-7H,(H,17,18)
InChIKey
RQMFSMZMURCTTR-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.01926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02654 156.2
[M+Na]+ 296.00848 168.2
[M-H]- 272.01198 163.1
[M+NH4]+ 291.05308 173.0
[M+K]+ 311.98242 163.5
[M+H-H2O]+ 256.01652 149.7
[M+HCOO]- 318.01746 174.0
[M+CH3COO]- 332.03311 169.7
[M+Na-2H]- 293.99393 162.0
[M]+ 273.01871 161.9
[M]- 273.01981 161.9
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.