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]+ 254.081176 153.8
[M+Na]+ 276.063118 164.2
[M-H]- 252.066624 161.9
[M+NH4]+ 271.107723 171.1
[M+K]+ 292.037058 161.9
[M+H-H2O]+ 236.071160 146.3
[M+HCOO]- 298.072101 177.5
[M+CH3COO]- 312.087751 167.8
[M+Na-2H]- 274.048566 160.7
[M]+ 253.07335142 159.0
[M]- 253.07444858 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.