CID 736966

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

Structural Information

Molecular Formula
C10H7Cl2NO
SMILES
C1=CC(=CC=C1C2=CN=C(O2)CCl)Cl
InChI
InChI=1S/C10H7Cl2NO/c11-5-10-13-6-9(14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
CJIWAFOZOWCQFI-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(4-chlorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

226.99046 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99774 145.0
[M+Na]+ 249.97968 156.2
[M-H]- 225.98318 150.5
[M+NH4]+ 245.02428 163.6
[M+K]+ 265.95362 151.6
[M+H-H2O]+ 209.98772 138.9
[M+HCOO]- 271.98866 159.3
[M+CH3COO]- 286.00431 158.7
[M+Na-2H]- 247.96513 150.3
[M]+ 226.98991 149.6
[M]- 226.99101 149.6
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