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

5
Patents

269.06073 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.068006 160.0
[M+Na]+ 292.049948 169.8
[M-H]- 268.053454 169.1
[M+NH4]+ 287.094553 176.1
[M+K]+ 308.023888 164.5
[M+H-H2O]+ 252.057990 151.8
[M+HCOO]- 314.058931 179.0
[M+CH3COO]- 328.074581 173.0
[M+Na-2H]- 290.035396 165.0
[M]+ 269.06018142 163.3
[M]- 269.06127858 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