CID 28354796

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

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
COC1=CC=C(C=C1)OCC2=NC(=CS2)CCl
InChI
InChI=1S/C12H12ClNO2S/c1-15-10-2-4-11(5-3-10)16-7-12-14-9(6-13)8-17-12/h2-5,8H,6-7H2,1H3
InChIKey
HUBOMJBOQLQYCF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 157.4
[M+Na]+ 292.01696 171.6
[M+NH4]+ 287.06156 166.7
[M+K]+ 307.99090 163.2
[M-H]- 268.02046 161.1
[M+Na-2H]- 290.00241 165.0
[M]+ 269.02719 161.3
[M]- 269.02829 161.3
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.