CID 721079

2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C13H8Cl2N2O
SMILES
C1=CC2=C(C=C1N)N=C(O2)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C13H8Cl2N2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
InChIKey
CEBMGSOURCAPDC-UHFFFAOYSA-N
Compound name
2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

278.00137 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00865 157.4
[M+Na]+ 300.99059 175.3
[M+NH4]+ 296.03519 167.3
[M+K]+ 316.96453 168.0
[M-H]- 276.99409 164.0
[M+Na-2H]- 298.97604 166.4
[M]+ 278.00082 162.7
[M]- 278.00192 162.7
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