CID 43144205

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

Structural Information

Molecular Formula
C11H9Cl2NO
SMILES
CC1=C(OC(=N1)CCl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9Cl2NO/c1-7-11(15-10(6-12)14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKey
RDYSXEWAVCFZBK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.