CID 46382

2-amino-5-bromo-6-chlorobenzoxazole

Structural Information

Molecular Formula
C7H4BrClN2O
SMILES
C1=C2C(=CC(=C1Br)Cl)OC(=N2)N
InChI
InChI=1S/C7H4BrClN2O/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)
InChIKey
SMXDRKKGVLJUFQ-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.91956 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.926836 140.7
[M+Na]+ 268.908778 157.0
[M-H]- 244.912284 147.9
[M+NH4]+ 263.953383 163.0
[M+K]+ 284.882718 145.0
[M+H-H2O]+ 228.916820 141.3
[M+HCOO]- 290.917761 159.3
[M+CH3COO]- 304.933411 157.3
[M+Na-2H]- 266.894226 149.7
[M]+ 245.91901142 163.1
[M]- 245.92010858 163.1
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

No patent data available for this compound.