CID 132371418

4-(chloromethyl)-3,5-dimethoxy-1,2-thiazole

Structural Information

Molecular Formula
C6H8ClNO2S
SMILES
COC1=C(C(=NS1)OC)CCl
InChI
InChI=1S/C6H8ClNO2S/c1-9-5-4(3-7)6(10-2)11-8-5/h3H2,1-2H3
InChIKey
ZESZKRJZEVGSFR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3,5-dimethoxy-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.99643 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00371 135.3
[M+Na]+ 215.98565 146.6
[M-H]- 191.98915 138.7
[M+NH4]+ 211.03025 157.4
[M+K]+ 231.95959 144.0
[M+H-H2O]+ 175.99369 130.6
[M+HCOO]- 237.99463 150.9
[M+CH3COO]- 252.01028 179.0
[M+Na-2H]- 213.97110 137.4
[M]+ 192.99588 142.9
[M]- 192.99698 142.9
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.