CID 75488498

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

Structural Information

Molecular Formula
C7H4BrFN2O
SMILES
C1=C2C(=CC(=C1Br)F)OC(=N2)N
InChI
InChI=1S/C7H4BrFN2O/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)
InChIKey
CLQSKKMZGJCSRE-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9491 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95638 138.1
[M+Na]+ 252.93832 153.5
[M-H]- 228.94182 144.2
[M+NH4]+ 247.98292 160.1
[M+K]+ 268.91226 142.9
[M+H-H2O]+ 212.94636 137.2
[M+HCOO]- 274.94730 160.2
[M+CH3COO]- 288.96295 154.5
[M+Na-2H]- 250.92377 146.9
[M]+ 229.94855 157.7
[M]- 229.94965 157.7
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.