CID 5272168

Schembl29226423

Structural Information

Molecular Formula
C15H13NO2
SMILES
CC(C1=CC=CC=C1)(C2=NC3=CC=CC=C3O2)O
InChI
InChI=1S/C15H13NO2/c1-15(17,11-7-3-2-4-8-11)14-16-12-9-5-6-10-13(12)18-14/h2-10,17H,1H3
InChIKey
KLVMJUJONVOJGC-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

239.09464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 151.7
[M+Na]+ 262.08386 161.3
[M-H]- 238.08736 158.2
[M+NH4]+ 257.12846 168.9
[M+K]+ 278.05780 158.0
[M+H-H2O]+ 222.09190 144.9
[M+HCOO]- 284.09284 173.0
[M+CH3COO]- 298.10849 165.0
[M+Na-2H]- 260.06931 161.0
[M]+ 239.09409 154.2
[M]- 239.09519 154.2
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