CID 14090864

3364-78-1

Structural Information

Molecular Formula
C4H4ClNS
SMILES
C1=CSC(=N1)CCl
InChI
InChI=1S/C4H4ClNS/c5-3-4-6-1-2-7-4/h1-2H,3H2
InChIKey
ZHAKAIBZKYHXJS-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1179
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 120.8
[M+Na]+ 155.96452 131.6
[M-H]- 131.96802 123.9
[M+NH4]+ 151.00912 144.8
[M+K]+ 171.93846 128.7
[M+H-H2O]+ 115.97256 116.2
[M+HCOO]- 177.97350 136.6
[M+CH3COO]- 191.98915 167.1
[M+Na-2H]- 153.94997 125.0
[M]+ 132.97475 124.1
[M]- 132.97585 124.1
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