CID 117259731

2-chloro-5-(oxolan-3-yl)-1,3-thiazole

Structural Information

Molecular Formula
C7H8ClNOS
SMILES
C1COCC1C2=CN=C(S2)Cl
InChI
InChI=1S/C7H8ClNOS/c8-7-9-3-6(11-7)5-1-2-10-4-5/h3,5H,1-2,4H2
InChIKey
RWDWUFCIPUVBOJ-UHFFFAOYSA-N
Compound name
2-chloro-5-(oxolan-3-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.00151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00879 138.2
[M+Na]+ 211.99073 148.1
[M-H]- 187.99423 144.9
[M+NH4]+ 207.03533 160.4
[M+K]+ 227.96467 146.2
[M+H-H2O]+ 171.99877 133.4
[M+HCOO]- 233.99971 152.0
[M+CH3COO]- 248.01536 152.5
[M+Na-2H]- 209.97618 138.8
[M]+ 189.00096 140.7
[M]- 189.00206 140.7
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.