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

44
Patents

235.07639 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08367 150.8
[M+Na]+ 258.06561 166.6
[M+NH4]+ 253.11021 160.1
[M+K]+ 274.03955 160.1
[M-H]- 234.06911 156.1
[M+Na-2H]- 256.05106 158.8
[M]+ 235.07584 155.0
[M]- 235.07694 155.0
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