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]+ 212.004376 140.3
[M+Na]+ 233.986318 151.9
[M-H]- 209.989824 145.1
[M+NH4]+ 229.030923 159.5
[M+K]+ 249.960258 146.4
[M+H-H2O]+ 193.994360 133.7
[M+HCOO]- 255.995301 155.5
[M+CH3COO]- 270.010951 153.9
[M+Na-2H]- 231.971766 143.1
[M]+ 210.99655142 142.3
[M]- 210.99764858 142.3
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.