CID 721071

2-(4-bromophenyl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C13H9BrN2O
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)N)Br
InChI
InChI=1S/C13H9BrN2O/c14-9-3-1-8(2-4-9)13-16-11-7-10(15)5-6-12(11)17-13/h1-7H,15H2
InChIKey
AONYSDWJNLNHHQ-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

287.98984 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99712 156.8
[M+Na]+ 310.97906 170.7
[M-H]- 286.98256 166.9
[M+NH4]+ 306.02366 176.2
[M+K]+ 326.95300 159.4
[M+H-H2O]+ 270.98710 155.8
[M+HCOO]- 332.98804 179.3
[M+CH3COO]- 347.00369 172.2
[M+Na-2H]- 308.96451 165.1
[M]+ 287.98929 177.2
[M]- 287.99039 177.2
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