CID 43140320

2-(1-benzofuran-2-yl)-4-(chloromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C12H8ClNOS
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=NC(=CS3)CCl
InChI
InChI=1S/C12H8ClNOS/c13-6-9-7-16-12(14-9)11-5-8-3-1-2-4-10(8)15-11/h1-5,7H,6H2
InChIKey
QQZMSKHWJNTGHQ-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)-4-(chloromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.00151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00879 149.9
[M+Na]+ 271.99073 166.0
[M+NH4]+ 267.03533 160.7
[M+K]+ 287.96467 159.0
[M-H]- 247.99423 155.9
[M+Na-2H]- 269.97618 157.9
[M]+ 249.00096 154.9
[M]- 249.00206 154.9
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

No patent data available for this compound.