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]+ 156.99634 120.5
[M+Na]+ 178.97828 133.4
[M-H]- 154.98178 118.8
[M+NH4]+ 174.02288 137.5
[M+K]+ 194.95222 128.7
[M+H-H2O]+ 138.98632 107.5
[M+HCOO]- 200.98726 132.4
[M+CH3COO]- 215.00291 183.7
[M+Na-2H]- 176.96373 127.1
[M]+ 155.98851 115.4
[M]- 155.98961 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