CID 3057932

Thiazole, 5-(2-chloroethyl)-2-(ethylthio)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C8H12ClNS2
SMILES
CCSC1=NC(=C(S1)CCCl)C
InChI
InChI=1S/C8H12ClNS2/c1-3-11-8-10-6(2)7(12-8)4-5-9/h3-5H2,1-2H3
InChIKey
AYRPVQCBHJACBP-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-2-ethylsulfanyl-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.00996 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.01724 142.7
[M+Na]+ 243.99918 153.5
[M-H]- 220.00268 145.7
[M+NH4]+ 239.04378 164.0
[M+K]+ 259.97312 148.3
[M+H-H2O]+ 204.00722 138.1
[M+HCOO]- 266.00816 151.4
[M+CH3COO]- 280.02381 185.9
[M+Na-2H]- 241.98463 141.1
[M]+ 221.00941 148.8
[M]- 221.01051 148.8
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

No patent data available for this compound.