CID 259758

2-(4-chlorophenyl)-5-phenyl-1,3-oxazole

Structural Information

Molecular Formula
C15H10ClNO
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO/c16-13-8-6-12(7-9-13)15-17-10-14(18-15)11-4-2-1-3-5-11/h1-10H
InChIKey
ANIDZBXFEWCCDB-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

255.04509 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05237 155.2
[M+Na]+ 278.03431 165.5
[M-H]- 254.03781 164.6
[M+NH4]+ 273.07891 171.9
[M+K]+ 294.00825 160.5
[M+H-H2O]+ 238.04235 147.3
[M+HCOO]- 300.04329 174.6
[M+CH3COO]- 314.05894 168.7
[M+Na-2H]- 276.01976 160.9
[M]+ 255.04454 158.3
[M]- 255.04564 158.3
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