CID 736341

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

Structural Information

Molecular Formula
C5H6ClNS
SMILES
CC1=NC(=CS1)CCl
InChI
InChI=1S/C5H6ClNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChIKey
AQBBZYVPKBIILN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2297
Patents

146.99095 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.998226 124.9
[M+Na]+ 169.980168 136.1
[M-H]- 145.983674 128.2
[M+NH4]+ 165.024773 148.7
[M+K]+ 185.954108 132.9
[M+H-H2O]+ 129.988210 120.4
[M+HCOO]- 191.989151 140.3
[M+CH3COO]- 206.004801 171.1
[M+Na-2H]- 167.965616 127.9
[M]+ 146.99040142 128.9
[M]- 146.99149858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe