CID 70030

2-phenylbenzoxazole

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChIKey
FIISKTXZUZBTRC-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

5436
Patents

195.06842 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07570 138.5
[M+Na]+ 218.05764 155.8
[M+NH4]+ 213.10224 149.0
[M+K]+ 234.03158 149.1
[M-H]- 194.06114 145.2
[M+Na-2H]- 216.04309 149.4
[M]+ 195.06787 143.2
[M]- 195.06897 143.2
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