CID 11229627

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

Structural Information

Molecular Formula
C7H4BrNO2
SMILES
C1=CC2=C(C=C1Br)ONC2=O
InChI
InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
InChIKey
ZXDOSRLQEYIVJC-UHFFFAOYSA-N
Compound name
6-bromo-1,2-benzoxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

212.94254 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.949816 132.1
[M+Na]+ 235.931758 147.4
[M-H]- 211.935264 138.6
[M+NH4]+ 230.976363 154.6
[M+K]+ 251.905698 137.1
[M+H-H2O]+ 195.939800 133.1
[M+HCOO]- 257.940741 154.0
[M+CH3COO]- 271.956391 149.1
[M+Na-2H]- 233.917206 142.6
[M]+ 212.94199142 153.1
[M]- 212.94308858 153.1
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

patents stripe