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

46
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 151.6
[M+Na]+ 258.06561 162.3
[M-H]- 234.06911 158.1
[M+NH4]+ 253.11021 170.1
[M+K]+ 274.03955 158.3
[M+H-H2O]+ 218.07365 145.1
[M+HCOO]- 280.07459 170.4
[M+CH3COO]- 294.09024 190.7
[M+Na-2H]- 256.05106 155.7
[M]+ 235.07584 156.8
[M]- 235.07694 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