CID 51138331

1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C8H10ClFN4
SMILES
C1CN(CC1N)C2=NC(=NC=C2F)Cl
InChI
InChI=1S/C8H10ClFN4/c9-8-12-3-6(10)7(13-8)14-2-1-5(11)4-14/h3,5H,1-2,4,11H2
InChIKey
OMPPWUACLONIIR-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0578 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.065076 144.2
[M+Na]+ 239.047018 154.0
[M-H]- 215.050524 145.2
[M+NH4]+ 234.091623 161.0
[M+K]+ 255.020958 149.0
[M+H-H2O]+ 199.055060 134.9
[M+HCOO]- 261.056001 159.1
[M+CH3COO]- 275.071651 156.0
[M+Na-2H]- 237.032466 146.8
[M]+ 216.05725142 140.8
[M]- 216.05834858 140.8
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.