CID 43936

62143-78-6

Structural Information

Molecular Formula
C16H11Cl2NO3
SMILES
CC(C1=CC2=C(C=C1)N=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C16H11Cl2NO3/c1-8(16(20)21)9-2-5-13-14(6-9)22-15(19-13)11-4-3-10(17)7-12(11)18/h2-8H,1H3,(H,20,21)
InChIKey
IQHPZIBKIKARIS-UHFFFAOYSA-N
Compound name
2-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-6-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0116 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.01888 171.2
[M+Na]+ 358.00082 183.1
[M-H]- 334.00432 177.5
[M+NH4]+ 353.04542 186.2
[M+K]+ 373.97476 177.6
[M+H-H2O]+ 318.00886 165.3
[M+HCOO]- 380.00980 182.2
[M+CH3COO]- 394.02545 183.3
[M+Na-2H]- 355.98627 173.4
[M]+ 335.01105 178.8
[M]- 335.01215 178.8
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

No patent data available for this compound.