CID 555391

2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKey
HEIBWPHLFHWDAX-UHFFFAOYSA-N
Compound name
2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

9
Patents

265.07388 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 158.8
[M+Na]+ 288.06310 174.0
[M+NH4]+ 283.10770 166.7
[M+K]+ 304.03704 169.2
[M-H]- 264.06660 165.0
[M+Na-2H]- 286.04855 168.4
[M]+ 265.07333 162.8
[M]- 265.07443 162.8
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