CID 16003033

4-(chloromethyl)-2-(4-ethylphenyl)-5-methyl-1,3-oxazole

Structural Information

Molecular Formula
C13H14ClNO
SMILES
CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CCl
InChI
InChI=1S/C13H14ClNO/c1-3-10-4-6-11(7-5-10)13-15-12(8-14)9(2)16-13/h4-7H,3,8H2,1-2H3
InChIKey
CAMXLIDWAPOXML-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-ethylphenyl)-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

235.07639 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.083666 151.6
[M+Na]+ 258.065608 162.3
[M-H]- 234.069114 158.1
[M+NH4]+ 253.110213 170.1
[M+K]+ 274.039548 158.3
[M+H-H2O]+ 218.073650 145.1
[M+HCOO]- 280.074591 170.4
[M+CH3COO]- 294.090241 190.7
[M+Na-2H]- 256.051056 155.7
[M]+ 235.07584142 156.8
[M]- 235.07693858 156.8
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