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

11
Patents

155.98906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.996336 120.5
[M+Na]+ 178.978278 133.4
[M-H]- 154.981784 118.8
[M+NH4]+ 174.022883 137.5
[M+K]+ 194.952218 128.7
[M+H-H2O]+ 138.986320 107.5
[M+HCOO]- 200.987261 132.4
[M+CH3COO]- 215.002911 183.7
[M+Na-2H]- 176.963726 127.1
[M]+ 155.98851142 115.4
[M]- 155.98960858 115.4
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