CID 599728

4-chloro-6-(4-fluorophenyl)pyrimidine

Structural Information

Molecular Formula
C10H6ClFN2
SMILES
C1=CC(=CC=C1C2=CC(=NC=N2)Cl)F
InChI
InChI=1S/C10H6ClFN2/c11-10-5-9(13-6-14-10)7-1-3-8(12)4-2-7/h1-6H
InChIKey
KYBYBOZNMFRRSF-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-fluorophenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

208.02036 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.027636 138.5
[M+Na]+ 231.009578 149.6
[M-H]- 207.013084 141.4
[M+NH4]+ 226.054183 155.6
[M+K]+ 246.983518 143.9
[M+H-H2O]+ 191.017620 129.8
[M+HCOO]- 253.018561 155.7
[M+CH3COO]- 267.034211 151.7
[M+Na-2H]- 228.995026 146.4
[M]+ 208.01981142 138.8
[M]- 208.02090858 138.8
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

patents stripe