CID 3613658

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

Structural Information

Molecular Formula
C11H9Cl2NO
SMILES
CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CCl
InChI
InChI=1S/C11H9Cl2NO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKey
UZZOBOWGDDNXRM-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

241.00612 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01340 149.5
[M+Na]+ 263.99534 161.3
[M-H]- 239.99884 155.3
[M+NH4]+ 259.03994 168.0
[M+K]+ 279.96928 156.4
[M+H-H2O]+ 224.00338 143.6
[M+HCOO]- 286.00432 163.5
[M+CH3COO]- 300.01997 163.2
[M+Na-2H]- 261.98079 153.6
[M]+ 241.00557 154.9
[M]- 241.00667 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe