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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.