CID 137698985

2,4-dichloro-6-ethylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C7H5Cl2N3
SMILES
CCC1=C(C(=NC(=N1)Cl)Cl)C#N
InChI
InChI=1S/C7H5Cl2N3/c1-2-5-4(3-10)6(8)12-7(9)11-5/h2H2,1H3
InChIKey
IBEFWQNGHWSPES-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-ethylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.98605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99333 134.2
[M+Na]+ 223.97527 147.3
[M-H]- 199.97877 134.4
[M+NH4]+ 219.01987 150.5
[M+K]+ 239.94921 142.2
[M+H-H2O]+ 183.98331 122.0
[M+HCOO]- 245.98425 144.2
[M+CH3COO]- 259.99990 195.7
[M+Na-2H]- 221.96072 139.8
[M]+ 200.98550 132.5
[M]- 200.98660 132.5
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

No patent data available for this compound.