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 151.8
[M+Na]+ 271.99073 165.5
[M-H]- 247.99423 160.7
[M+NH4]+ 267.03533 173.4
[M+K]+ 287.96467 161.2
[M+H-H2O]+ 231.99877 147.1
[M+HCOO]- 293.99971 168.5
[M+CH3COO]- 308.01536 166.9
[M+Na-2H]- 269.97618 154.9
[M]+ 249.00096 160.1
[M]- 249.00206 160.1
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.