CID 155821377

2-chloro-4-ethynyl-5-fluoropyrimidine

Structural Information

Molecular Formula
C6H2ClFN2
SMILES
C#CC1=NC(=NC=C1F)Cl
InChI
InChI=1S/C6H2ClFN2/c1-2-5-4(8)3-9-6(7)10-5/h1,3H
InChIKey
WKJSUNYRCAMPPG-UHFFFAOYSA-N
Compound name
2-chloro-4-ethynyl-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

155.98906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99634 125.5
[M+Na]+ 178.97828 139.8
[M+NH4]+ 174.02288 130.2
[M+K]+ 194.95222 129.9
[M-H]- 154.98178 117.6
[M+Na-2H]- 176.96373 130.0
[M]+ 155.98851 124.7
[M]- 155.98961 124.7
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

patents stripe