CID 13269

835-64-3

Structural Information

Molecular Formula
C13H9NO2
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)O
InChI
InChI=1S/C13H9NO2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
InChIKey
GHGZVWOTJDLREY-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

2773
Patents

211.06332 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.070596 141.6
[M+Na]+ 234.052538 152.7
[M-H]- 210.056044 148.5
[M+NH4]+ 229.097143 160.1
[M+K]+ 250.026478 149.3
[M+H-H2O]+ 194.060580 134.8
[M+HCOO]- 256.061521 165.2
[M+CH3COO]- 270.077171 156.0
[M+Na-2H]- 232.037986 150.4
[M]+ 211.06277142 144.3
[M]- 211.06386858 144.3
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