CID 62922540

2-(chloromethyl)-5-ethyl-1,3-thiazole

Structural Information

Molecular Formula
C6H8ClNS
SMILES
CCC1=CN=C(S1)CCl
InChI
InChI=1S/C6H8ClNS/c1-2-5-4-8-6(3-7)9-5/h4H,2-3H2,1H3
InChIKey
OMNARGNMMFLYFU-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-ethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.00659 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01387 129.5
[M+Na]+ 183.99581 140.2
[M-H]- 159.99931 132.5
[M+NH4]+ 179.04041 152.7
[M+K]+ 199.96975 136.8
[M+H-H2O]+ 144.00385 124.8
[M+HCOO]- 206.00479 144.5
[M+CH3COO]- 220.02044 174.1
[M+Na-2H]- 181.98126 131.9
[M]+ 161.00604 133.8
[M]- 161.00714 133.8
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.