CID 130162512

4-chloro-5-(chloromethyl)-2-methoxy-1,3-thiazole

Structural Information

Molecular Formula
C5H5Cl2NOS
SMILES
COC1=NC(=C(S1)CCl)Cl
InChI
InChI=1S/C5H5Cl2NOS/c1-9-5-8-4(7)3(2-6)10-5/h2H2,1H3
InChIKey
NPMBYIMDAAATIY-UHFFFAOYSA-N
Compound name
4-chloro-5-(chloromethyl)-2-methoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.94688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.95416 134.1
[M+Na]+ 219.93610 146.1
[M-H]- 195.93960 137.0
[M+NH4]+ 214.98070 156.3
[M+K]+ 235.91004 141.9
[M+H-H2O]+ 179.94414 130.3
[M+HCOO]- 241.94508 144.5
[M+CH3COO]- 255.96073 178.9
[M+Na-2H]- 217.92155 135.8
[M]+ 196.94633 140.4
[M]- 196.94743 140.4
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.