CID 83669491

7-bromo-1,2-benzoxazol-5-ol

Structural Information

Molecular Formula
C7H4BrNO2
SMILES
C1=C(C=C(C2=C1C=NO2)Br)O
InChI
InChI=1S/C7H4BrNO2/c8-6-2-5(10)1-4-3-9-11-7(4)6/h1-3,10H
InChIKey
DEYDZGZTDGOPEF-UHFFFAOYSA-N
Compound name
7-bromo-1,2-benzoxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.94254 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.949816 133.1
[M+Na]+ 235.931758 148.0
[M-H]- 211.935264 139.6
[M+NH4]+ 230.976363 155.5
[M+K]+ 251.905698 138.4
[M+H-H2O]+ 195.939800 134.0
[M+HCOO]- 257.940741 154.7
[M+CH3COO]- 271.956391 150.0
[M+Na-2H]- 233.917206 143.6
[M]+ 212.94199142 154.7
[M]- 212.94308858 154.7
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.