CID 16743445

4-chloro-6-ethyl-5-fluoropyrimidine

Structural Information

Molecular Formula
C6H6ClFN2
SMILES
CCC1=C(C(=NC=N1)Cl)F
InChI
InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3
InChIKey
LKTGVRWVTAJGMS-UHFFFAOYSA-N
Compound name
4-chloro-6-ethyl-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

141
Patents

160.02036 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.027636 125.9
[M+Na]+ 183.009578 137.2
[M-H]- 159.013084 125.9
[M+NH4]+ 178.054183 145.4
[M+K]+ 198.983518 133.6
[M+H-H2O]+ 143.017620 119.0
[M+HCOO]- 205.018561 143.0
[M+CH3COO]- 219.034211 176.5
[M+Na-2H]- 180.995026 133.4
[M]+ 160.01981142 127.1
[M]- 160.02090858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe