CID 33589610

455280-00-9

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1=CC2=C(C=C1Br)C(=NO2)N
InChI
InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKey
BGMYWBQEKIMHGU-UHFFFAOYSA-N
Compound name
5-bromo-1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

211.95853 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 134.3
[M+Na]+ 234.947748 148.8
[M-H]- 210.951254 141.4
[M+NH4]+ 229.992353 156.8
[M+K]+ 250.921688 138.8
[M+H-H2O]+ 194.955790 134.3
[M+HCOO]- 256.956731 157.4
[M+CH3COO]- 270.972381 151.0
[M+Na-2H]- 232.933196 144.5
[M]+ 211.95798142 154.6
[M]- 211.95907858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe