CID 659499

2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-ylamine

Structural Information

Molecular Formula
C13H8BrClN2O
SMILES
C1=CC2=C(C=C1N)N=C(O2)C3=C(C=CC(=C3)Br)Cl
InChI
InChI=1S/C13H8BrClN2O/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
VHHFGVFUDZMDCD-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

321.95084 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.95812 163.7
[M+Na]+ 344.94006 179.4
[M-H]- 320.94356 173.8
[M+NH4]+ 339.98466 182.9
[M+K]+ 360.91400 166.4
[M+H-H2O]+ 304.94810 163.2
[M+HCOO]- 366.94904 181.6
[M+CH3COO]- 380.96469 179.0
[M+Na-2H]- 342.92551 170.7
[M]+ 321.95029 186.4
[M]- 321.95139 186.4
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