CID 2564761

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

Structural Information

Molecular Formula
C10H7Cl2NO
SMILES
C1=CC(=CC(=C1)Cl)C2=CN=C(O2)CCl
InChI
InChI=1S/C10H7Cl2NO/c11-5-10-13-6-9(14-10)7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKey
XREYQNDZYBPWOE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.99046 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.997736 145.0
[M+Na]+ 249.979678 156.2
[M-H]- 225.983184 150.5
[M+NH4]+ 245.024283 163.6
[M+K]+ 265.953618 151.6
[M+H-H2O]+ 209.987720 138.9
[M+HCOO]- 271.988661 159.3
[M+CH3COO]- 286.004311 158.7
[M+Na-2H]- 247.965126 150.3
[M]+ 226.98991142 149.6
[M]- 226.99100858 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

No literature data available for this compound.

Patent stripe

patents stripe