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]+ 217.06508 144.2
[M+Na]+ 239.04702 154.0
[M-H]- 215.05052 145.2
[M+NH4]+ 234.09162 161.0
[M+K]+ 255.02096 149.0
[M+H-H2O]+ 199.05506 134.9
[M+HCOO]- 261.05600 159.1
[M+CH3COO]- 275.07165 156.0
[M+Na-2H]- 237.03247 146.8
[M]+ 216.05725 140.8
[M]- 216.05835 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.