CID 61695932

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

Structural Information

Molecular Formula
C7H10ClNOS
SMILES
CC(C1=NC(=CS1)CCl)OC
InChI
InChI=1S/C7H10ClNOS/c1-5(10-2)7-9-6(3-8)4-11-7/h4-5H,3H2,1-2H3
InChIKey
VNUDCYYHBDWOCX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(1-methoxyethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.01717 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02445 137.5
[M+Na]+ 214.00639 147.4
[M-H]- 190.00989 140.5
[M+NH4]+ 209.05099 159.4
[M+K]+ 229.98033 144.5
[M+H-H2O]+ 174.01443 132.5
[M+HCOO]- 236.01537 151.5
[M+CH3COO]- 250.03102 179.7
[M+Na-2H]- 211.99184 138.5
[M]+ 191.01662 143.0
[M]- 191.01772 143.0
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

No patent data available for this compound.