CID 46380

5-bromobenzo[d]oxazol-2-amine

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1=CC2=C(C=C1Br)N=C(O2)N
InChI
InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKey
HMRSJGDFTOUVBW-UHFFFAOYSA-N
Compound name
5-bromo-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

210
Patents

211.95853 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 136.9
[M+Na]+ 234.94775 141.3
[M+NH4]+ 229.99235 142.4
[M+K]+ 250.92169 142.9
[M-H]- 210.95125 139.0
[M+Na-2H]- 232.93320 140.3
[M]+ 211.95798 137.0
[M]- 211.95908 137.0
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