CID 65331177

4-(chloromethyl)-2-(oxolan-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C8H10ClNOS
SMILES
C1CC(OC1)C2=NC(=CS2)CCl
InChI
InChI=1S/C8H10ClNOS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h5,7H,1-4H2
InChIKey
DFFJFRZVYYPJAB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(oxolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02445 142.7
[M+Na]+ 226.00639 152.2
[M-H]- 202.00989 149.3
[M+NH4]+ 221.05099 164.4
[M+K]+ 241.98033 150.1
[M+H-H2O]+ 186.01443 137.8
[M+HCOO]- 248.01537 156.3
[M+CH3COO]- 262.03102 156.6
[M+Na-2H]- 223.99184 142.8
[M]+ 203.01662 145.6
[M]- 203.01772 145.6
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.