CID 43622191

2-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrimidine

Structural Information

Molecular Formula
C8H6ClN3S
SMILES
C1=CN=C(N=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C8H6ClN3S/c9-4-6-5-13-8(12-6)7-10-2-1-3-11-7/h1-3,5H,4H2
InChIKey
FNBLVIJYQKKYGX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9971 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.004376 139.5
[M+Na]+ 233.986318 151.1
[M-H]- 209.989824 143.0
[M+NH4]+ 229.030923 157.7
[M+K]+ 249.960258 146.2
[M+H-H2O]+ 193.994360 132.0
[M+HCOO]- 255.995301 153.0
[M+CH3COO]- 270.010951 152.9
[M+Na-2H]- 231.971766 143.2
[M]+ 210.99655142 143.2
[M]- 210.99764858 143.2
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.