CID 138039677

2-(chloromethyl)-5-(3-phenylphenyl)-1,3-oxazole

Structural Information

Molecular Formula
C16H12ClNO
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CN=C(O3)CCl
InChI
InChI=1S/C16H12ClNO/c17-10-16-18-11-15(19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKey
XEJXGEBARFLSPJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(3-phenylphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

269.06073 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06801 160.0
[M+Na]+ 292.04995 169.8
[M-H]- 268.05345 169.1
[M+NH4]+ 287.09455 176.1
[M+K]+ 308.02389 164.5
[M+H-H2O]+ 252.05799 151.8
[M+HCOO]- 314.05893 179.0
[M+CH3COO]- 328.07458 173.0
[M+Na-2H]- 290.03540 165.0
[M]+ 269.06018 163.3
[M]- 269.06128 163.3
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

patents stripe