CID 71757362

4-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C6H6ClNO2S
SMILES
C1COC(O1)C2=NC(=CS2)Cl
InChI
InChI=1S/C6H6ClNO2S/c7-4-3-11-5(8-4)6-9-1-2-10-6/h3,6H,1-2H2
InChIKey
ZOYSKPSGMACJQL-UHFFFAOYSA-N
Compound name
4-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.98077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.988046 136.4
[M+Na]+ 213.969988 146.7
[M-H]- 189.973494 143.9
[M+NH4]+ 209.014593 157.2
[M+K]+ 229.943928 146.5
[M+H-H2O]+ 173.978030 132.3
[M+HCOO]- 235.978971 150.0
[M+CH3COO]- 249.994621 151.1
[M+Na-2H]- 211.955436 138.4
[M]+ 190.98022142 140.4
[M]- 190.98131858 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.