CID 135418373

440122-66-7

Structural Information

Molecular Formula
C13H8BrNO3
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C(=CC(=C3)O)Br)O
InChI
InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H
InChIKey
BAAILVWEAXFTSF-UHFFFAOYSA-N
Compound name
7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

77
Patents

304.96875 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.97603 160.5
[M+Na]+ 327.95797 166.5
[M+NH4]+ 323.00257 165.0
[M+K]+ 343.93191 167.6
[M-H]- 303.96147 163.2
[M+Na-2H]- 325.94342 164.3
[M]+ 304.96820 161.0
[M]- 304.96930 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe