CID 10608621

6-bromo-1,2-benzoxazol-3-amine

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1=CC2=C(C=C1Br)ON=C2N
InChI
InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKey
CNLHHYURQCSYLB-UHFFFAOYSA-N
Compound name
6-bromo-1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

211.95853 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 134.3
[M+Na]+ 234.94775 148.8
[M-H]- 210.95125 141.4
[M+NH4]+ 229.99235 156.8
[M+K]+ 250.92169 138.8
[M+H-H2O]+ 194.95579 134.3
[M+HCOO]- 256.95673 157.4
[M+CH3COO]- 270.97238 151.0
[M+Na-2H]- 232.93320 144.5
[M]+ 211.95798 154.6
[M]- 211.95908 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