CID 205481

5-(chloromethyl)thiazole hydrochloride

Structural Information

Molecular Formula
C4H4ClNS
SMILES
C1=C(SC=N1)CCl
InChI
InChI=1S/C4H4ClNS/c5-1-4-2-6-3-7-4/h2-3H,1H2
InChIKey
UZAOOCPKYMGRHG-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

421
Patents

132.9753 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.98258 122.0
[M+Na]+ 155.96452 135.0
[M+NH4]+ 151.00912 132.4
[M+K]+ 171.93846 127.5
[M-H]- 131.96802 124.1
[M+Na-2H]- 153.94997 128.6
[M]+ 132.97475 125.2
[M]- 132.97585 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe