CID 43142300

2-(5-chlorothiophen-2-yl)pyrimidin-5-amine

Structural Information

Molecular Formula
C8H6ClN3S
SMILES
C1=C(SC(=C1)Cl)C2=NC=C(C=N2)N
InChI
InChI=1S/C8H6ClN3S/c9-7-2-1-6(13-7)8-11-3-5(10)4-12-8/h1-4H,10H2
InChIKey
GOGHYMATGSGROR-UHFFFAOYSA-N
Compound name
2-(5-chlorothiophen-2-yl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9971 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00438 140.8
[M+Na]+ 233.98632 155.0
[M+NH4]+ 229.03092 150.3
[M+K]+ 249.96026 147.4
[M-H]- 209.98982 144.8
[M+Na-2H]- 231.97177 149.1
[M]+ 210.99655 144.7
[M]- 210.99765 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.