CID 46784136

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

Structural Information

Molecular Formula
C11H10ClNS
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)CCl
InChI
InChI=1S/C11H10ClNS/c1-8-2-4-9(5-3-8)10-7-14-11(6-12)13-10/h2-5,7H,6H2,1H3
InChIKey
OCCQMMOOYUNWAB-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-(4-methylphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.02225 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.02953 146.5
[M+Na]+ 246.01147 161.9
[M+NH4]+ 241.05607 157.1
[M+K]+ 261.98541 152.7
[M-H]- 222.01497 151.3
[M+Na-2H]- 243.99692 155.2
[M]+ 223.02170 151.0
[M]- 223.02280 151.0
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