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]+ 212.00438 139.5
[M+Na]+ 233.98632 151.1
[M-H]- 209.98982 143.0
[M+NH4]+ 229.03092 157.7
[M+K]+ 249.96026 146.2
[M+H-H2O]+ 193.99436 132.0
[M+HCOO]- 255.99530 153.0
[M+CH3COO]- 270.01095 152.9
[M+Na-2H]- 231.97177 143.2
[M]+ 210.99655 143.2
[M]- 210.99765 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.