CID 2466774

4-(chloromethyl)-2-(4-ethylphenyl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C12H12ClNS
SMILES
CCC1=CC=C(C=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C12H12ClNS/c1-2-9-3-5-10(6-4-9)12-14-11(7-13)8-15-12/h3-6,8H,2,7H2,1H3
InChIKey
LGPBFPAIFFOHBF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-ethylphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

237.0379 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04518 150.0
[M+Na]+ 260.02712 160.8
[M-H]- 236.03062 156.2
[M+NH4]+ 255.07172 170.2
[M+K]+ 276.00106 155.0
[M+H-H2O]+ 220.03516 143.9
[M+HCOO]- 282.03610 164.9
[M+CH3COO]- 296.05175 163.5
[M+Na-2H]- 258.01257 151.2
[M]+ 237.03735 154.7
[M]- 237.03845 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