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]+ 213.94982 133.1
[M+Na]+ 235.93176 148.0
[M-H]- 211.93526 139.6
[M+NH4]+ 230.97636 155.5
[M+K]+ 251.90570 138.4
[M+H-H2O]+ 195.93980 134.0
[M+HCOO]- 257.94074 154.7
[M+CH3COO]- 271.95639 150.0
[M+Na-2H]- 233.91721 143.6
[M]+ 212.94199 154.7
[M]- 212.94309 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.