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

6
Patents

232.94688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95416 145.9
[M+Na]+ 255.93610 159.5
[M-H]- 231.93960 153.2
[M+NH4]+ 250.98070 167.2
[M+K]+ 271.91004 155.4
[M+H-H2O]+ 215.94414 141.6
[M+HCOO]- 277.94508 158.3
[M+CH3COO]- 291.96073 160.8
[M+Na-2H]- 253.92155 147.1
[M]+ 232.94633 154.0
[M]- 232.94743 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