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]+ 201.993326 134.2
[M+Na]+ 223.975268 147.3
[M-H]- 199.978774 134.4
[M+NH4]+ 219.019873 150.5
[M+K]+ 239.949208 142.2
[M+H-H2O]+ 183.983310 122.0
[M+HCOO]- 245.984251 144.2
[M+CH3COO]- 259.999901 195.7
[M+Na-2H]- 221.960716 139.8
[M]+ 200.98550142 132.5
[M]- 200.98659858 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.