CID 11137668

4,5-dichloro-6-ethylpyrimidine

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
CCC1=C(C(=NC=N1)Cl)Cl
InChI
InChI=1S/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKey
RPVZESOQOOPTGU-UHFFFAOYSA-N
Compound name
4,5-dichloro-6-ethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

175.9908 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99808 129.2
[M+Na]+ 198.98002 140.7
[M-H]- 174.98352 129.7
[M+NH4]+ 194.02462 148.4
[M+K]+ 214.95396 136.1
[M+H-H2O]+ 158.98806 123.7
[M+HCOO]- 220.98900 142.1
[M+CH3COO]- 235.00465 178.7
[M+Na-2H]- 196.96547 136.4
[M]+ 175.99025 132.3
[M]- 175.99135 132.3
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

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