CID 55264154

4,6-dichloro-2-ethyl-5-fluoropyrimidine

Structural Information

Molecular Formula
C6H5Cl2FN2
SMILES
CCC1=NC(=C(C(=N1)Cl)F)Cl
InChI
InChI=1S/C6H5Cl2FN2/c1-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKey
PCWBZTOPEQGYAZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-ethyl-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

193.98138 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98866 130.6
[M+Na]+ 216.97060 143.0
[M-H]- 192.97410 130.1
[M+NH4]+ 212.01520 149.3
[M+K]+ 232.94454 138.0
[M+H-H2O]+ 176.97864 124.4
[M+HCOO]- 238.97958 142.5
[M+CH3COO]- 252.99523 182.4
[M+Na-2H]- 214.95605 136.6
[M]+ 193.98083 133.0
[M]- 193.98193 133.0
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