CID 3063316

Phenol, 4-(2-benzoxazoyl)-, acetate (ester)

Structural Information

Molecular Formula
C15H11NO3
SMILES
CC(=O)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C15H11NO3/c1-10(17)18-12-8-6-11(7-9-12)15-16-13-4-2-3-5-14(13)19-15/h2-9H,1H3
InChIKey
SAPQLVFYZNYGSV-UHFFFAOYSA-N
Compound name
[4-(1,3-benzoxazol-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.8
[M+Na]+ 276.06312 164.2
[M-H]- 252.06662 161.9
[M+NH4]+ 271.10772 171.1
[M+K]+ 292.03706 161.9
[M+H-H2O]+ 236.07116 146.3
[M+HCOO]- 298.07210 177.5
[M+CH3COO]- 312.08775 167.8
[M+Na-2H]- 274.04857 160.7
[M]+ 253.07335 159.0
[M]- 253.07445 159.0
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.