CID 3057930

Thiazole, 5-(2-chloromethyl)-4-methyl-2-(methylthio)-, hydrochloride

Structural Information

Molecular Formula
C7H10ClNS2
SMILES
CC1=C(SC(=N1)SC)CCCl
InChI
InChI=1S/C7H10ClNS2/c1-5-6(3-4-8)11-7(9-5)10-2/h3-4H2,1-2H3
InChIKey
FFXPPGZKKKMFRL-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.99432 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.00160 138.4
[M+Na]+ 229.98354 149.7
[M-H]- 205.98704 141.6
[M+NH4]+ 225.02814 160.2
[M+K]+ 245.95748 144.7
[M+H-H2O]+ 189.99158 134.1
[M+HCOO]- 251.99252 147.4
[M+CH3COO]- 266.00817 183.0
[M+Na-2H]- 227.96899 137.2
[M]+ 206.99377 144.2
[M]- 206.99487 144.2
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