CID 4961960

4-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-thiazole

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
COC1=CC(=C(C=C1)C2=NC(=CS2)CCl)OC
InChI
InChI=1S/C12H12ClNO2S/c1-15-9-3-4-10(11(5-9)16-2)12-14-8(6-13)7-17-12/h3-5,7H,6H2,1-2H3
InChIKey
VSGHNBRTGHXMCU-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 157.6
[M+Na]+ 292.01696 172.2
[M+NH4]+ 287.06156 166.9
[M+K]+ 307.99090 164.0
[M-H]- 268.02046 161.4
[M+Na-2H]- 290.00241 165.0
[M]+ 269.02719 161.7
[M]- 269.02829 161.7
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.