CID 5272170

2-benzoyl-1,3-benzoxazole

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H9NO2/c16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)17-14/h1-9H
InChIKey
JFBYNWHTOFMZDS-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

223.06332 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.070596 145.6
[M+Na]+ 246.052538 155.7
[M-H]- 222.056044 153.4
[M+NH4]+ 241.097143 163.8
[M+K]+ 262.026478 152.9
[M+H-H2O]+ 206.060580 138.2
[M+HCOO]- 268.061521 169.5
[M+CH3COO]- 282.077171 159.8
[M+Na-2H]- 244.037986 153.8
[M]+ 223.06277142 148.7
[M]- 223.06386858 148.7
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