CID 21698215

4-(chloromethyl)-1,2-thiazole

Structural Information

Molecular Formula
C4H4ClNS
SMILES
C1=C(C=NS1)CCl
InChI
InChI=1S/C4H4ClNS/c5-1-4-2-6-7-3-4/h2-3H,1H2
InChIKey
PLOSCALOUKVAQO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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

No literature data available for this compound.

Patent stripe

patents stripe