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 140.3
[M+Na]+ 233.98632 151.9
[M-H]- 209.98982 145.1
[M+NH4]+ 229.03092 159.5
[M+K]+ 249.96026 146.4
[M+H-H2O]+ 193.99436 133.7
[M+HCOO]- 255.99530 155.5
[M+CH3COO]- 270.01095 153.9
[M+Na-2H]- 231.97177 143.1
[M]+ 210.99655 142.3
[M]- 210.99765 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.