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]+ 192.024446 137.5
[M+Na]+ 214.006388 147.4
[M-H]- 190.009894 140.5
[M+NH4]+ 209.050993 159.4
[M+K]+ 229.980328 144.5
[M+H-H2O]+ 174.014430 132.5
[M+HCOO]- 236.015371 151.5
[M+CH3COO]- 250.031021 179.7
[M+Na-2H]- 211.991836 138.5
[M]+ 191.01662142 143.0
[M]- 191.01771858 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.