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

52
Patents

212.94254 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.94982 132.1
[M+Na]+ 235.93176 147.4
[M-H]- 211.93526 138.6
[M+NH4]+ 230.97636 154.6
[M+K]+ 251.90570 137.1
[M+H-H2O]+ 195.93980 133.1
[M+HCOO]- 257.94074 154.0
[M+CH3COO]- 271.95639 149.1
[M+Na-2H]- 233.91721 142.6
[M]+ 212.94199 153.1
[M]- 212.94309 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