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 136.4
[M+Na]+ 213.96999 146.7
[M-H]- 189.97349 143.9
[M+NH4]+ 209.01459 157.2
[M+K]+ 229.94393 146.5
[M+H-H2O]+ 173.97803 132.3
[M+HCOO]- 235.97897 150.0
[M+CH3COO]- 249.99462 151.1
[M+Na-2H]- 211.95544 138.4
[M]+ 190.98022 140.4
[M]- 190.98132 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.