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]+ 274.026536 156.2
[M+Na]+ 296.008478 168.2
[M-H]- 272.011984 163.1
[M+NH4]+ 291.053083 173.0
[M+K]+ 311.982418 163.5
[M+H-H2O]+ 256.016520 149.7
[M+HCOO]- 318.017461 174.0
[M+CH3COO]- 332.033111 169.7
[M+Na-2H]- 293.993926 162.0
[M]+ 273.01871142 161.9
[M]- 273.01980858 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.