CID 56687000

5-bromo-2-chlorobenzo[d]oxazole

Structural Information

Molecular Formula
C7H3BrClNO
SMILES
C1=CC2=C(C=C1Br)N=C(O2)Cl
InChI
InChI=1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
InChIKey
YAAOMYRRXGGRAZ-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

230.90865 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.91593 137.9
[M+Na]+ 253.89787 144.4
[M+NH4]+ 248.94247 144.2
[M+K]+ 269.87181 144.6
[M-H]- 229.90137 140.0
[M+Na-2H]- 251.88332 142.2
[M]+ 230.90810 138.7
[M]- 230.90920 138.7
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

patents stripe