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]+ 204.024446 142.7
[M+Na]+ 226.006388 152.2
[M-H]- 202.009894 149.3
[M+NH4]+ 221.050993 164.4
[M+K]+ 241.980328 150.1
[M+H-H2O]+ 186.014430 137.8
[M+HCOO]- 248.015371 156.3
[M+CH3COO]- 262.031021 156.6
[M+Na-2H]- 223.991836 142.8
[M]+ 203.01662142 145.6
[M]- 203.01771858 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.