CID 21698104

5-(chloromethyl)-1,2-thiazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

132.9753 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.982576 120.8
[M+Na]+ 155.964518 131.6
[M-H]- 131.968024 123.9
[M+NH4]+ 151.009123 144.8
[M+K]+ 171.938458 128.7
[M+H-H2O]+ 115.972560 116.2
[M+HCOO]- 177.973501 136.6
[M+CH3COO]- 191.989151 167.1
[M+Na-2H]- 153.949966 125.0
[M]+ 132.97475142 124.1
[M]- 132.97584858 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