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]+ 191.98805 135.4
[M+Na]+ 213.96999 147.3
[M+NH4]+ 209.01459 144.9
[M+K]+ 229.94393 143.5
[M-H]- 189.97349 140.5
[M+Na-2H]- 211.95544 140.0
[M]+ 190.98022 139.2
[M]- 190.98132 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.