CID 5327160

2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

Structural Information

Molecular Formula
C14H7Cl2NO3
SMILES
C1=CC(=C(C(=C1)Cl)C2=NC3=C(O2)C=C(C=C3)C(=O)O)Cl
InChI
InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)
InChIKey
XVNRKPCHMYOPPL-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

57
Patents

306.9803 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.98758 162.4
[M+Na]+ 329.96952 175.6
[M-H]- 305.97302 168.9
[M+NH4]+ 325.01412 178.6
[M+K]+ 345.94346 169.9
[M+H-H2O]+ 289.97756 156.7
[M+HCOO]- 351.97850 175.0
[M+CH3COO]- 365.99415 175.5
[M+Na-2H]- 327.95497 166.7
[M]+ 306.97975 169.8
[M]- 306.98085 169.8
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