CID 73672883

4-chloro-5-fluoro-6-vinylpyrimidine

Structural Information

Molecular Formula
C6H4ClFN2
SMILES
C=CC1=C(C(=NC=N1)Cl)F
InChI
InChI=1S/C6H4ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h2-3H,1H2
InChIKey
OOPSUAVKHZVJLT-UHFFFAOYSA-N
Compound name
4-chloro-6-ethenyl-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

158.0047 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.01198 124.7
[M+Na]+ 180.99392 136.4
[M-H]- 156.99742 124.7
[M+NH4]+ 176.03852 144.2
[M+K]+ 196.96786 132.1
[M+H-H2O]+ 141.00196 117.9
[M+HCOO]- 203.00290 142.1
[M+CH3COO]- 217.01855 175.6
[M+Na-2H]- 178.97937 132.3
[M]+ 158.00415 125.3
[M]- 158.00525 125.3
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