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]+ 250.008786 151.8
[M+Na]+ 271.990728 165.5
[M-H]- 247.994234 160.7
[M+NH4]+ 267.035333 173.4
[M+K]+ 287.964668 161.2
[M+H-H2O]+ 231.998770 147.1
[M+HCOO]- 293.999711 168.5
[M+CH3COO]- 308.015361 166.9
[M+Na-2H]- 269.976176 154.9
[M]+ 249.00096142 160.1
[M]- 249.00205858 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.