CID 7131527

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

Structural Information

Molecular Formula
C10H7Cl2NO
SMILES
C1=CC(=CC=C1C2=NC(=CO2)CCl)Cl
InChI
InChI=1S/C10H7Cl2NO/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
BGGPUCCJQGIJRL-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
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 143.9
[M+Na]+ 249.97968 160.3
[M+NH4]+ 245.02428 153.6
[M+K]+ 265.95362 153.6
[M-H]- 225.98318 149.0
[M+Na-2H]- 247.96513 152.8
[M]+ 226.98991 148.4
[M]- 226.99101 148.4
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