CID 22221332

4-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole

Structural Information

Molecular Formula
C8H5Cl2NOS
SMILES
C1=C(SC(=C1)Cl)C2=C(C=NO2)CCl
InChI
InChI=1S/C8H5Cl2NOS/c9-3-5-4-11-12-8(5)6-1-2-7(10)13-6/h1-2,4H,3H2
InChIKey
MOWXKEIRBCMEBE-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

232.94688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.954156 145.9
[M+Na]+ 255.936098 159.5
[M-H]- 231.939604 153.2
[M+NH4]+ 250.980703 167.2
[M+K]+ 271.910038 155.4
[M+H-H2O]+ 215.944140 141.6
[M+HCOO]- 277.945081 158.3
[M+CH3COO]- 291.960731 160.8
[M+Na-2H]- 253.921546 147.1
[M]+ 232.94633142 154.0
[M]- 232.94742858 154.0
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