CID 40149229

4-(chloromethyl)-2-(1-methyl-1h-pyrazol-4-yl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C8H8ClN3S
SMILES
CN1C=C(C=N1)C2=NC(=CS2)CCl
InChI
InChI=1S/C8H8ClN3S/c1-12-4-6(3-10-12)8-11-7(2-9)5-13-8/h3-5H,2H2,1H3
InChIKey
FWEITLVMGFDAGX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01274 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02002 141.8
[M+Na]+ 236.00196 155.4
[M-H]- 212.00546 146.4
[M+NH4]+ 231.04656 162.3
[M+K]+ 251.97590 151.0
[M+H-H2O]+ 196.01000 134.9
[M+HCOO]- 258.01094 157.6
[M+CH3COO]- 272.02659 156.3
[M+Na-2H]- 233.98741 142.7
[M]+ 213.01219 148.2
[M]- 213.01329 148.2
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.