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

28
Patents

239.01717 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.02445 148.9
[M+Na]+ 262.00639 160.0
[M-H]- 238.00989 155.3
[M+NH4]+ 257.05099 169.0
[M+K]+ 277.98033 155.0
[M+H-H2O]+ 222.01443 142.9
[M+HCOO]- 284.01537 164.4
[M+CH3COO]- 298.03102 162.7
[M+Na-2H]- 259.99184 150.8
[M]+ 239.01662 154.7
[M]- 239.01772 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