CID 2517656

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

Structural Information

Molecular Formula
C11H10ClNOS
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C11H10ClNOS/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3
InChIKey
QUGNZVWIWYZXEC-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

239.01717 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.024446 148.9
[M+Na]+ 262.006388 160.0
[M-H]- 238.009894 155.3
[M+NH4]+ 257.050993 169.0
[M+K]+ 277.980328 155.0
[M+H-H2O]+ 222.014430 142.9
[M+HCOO]- 284.015371 164.4
[M+CH3COO]- 298.031021 162.7
[M+Na-2H]- 259.991836 150.8
[M]+ 239.01662142 154.7
[M]- 239.01771858 154.7
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

patents stripe