CID 351434

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

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
CC1=C(C(=NC(=N1)Cl)Cl)C#N
InChI
InChI=1S/C6H3Cl2N3/c1-3-4(2-9)5(7)11-6(8)10-3/h1H3
InChIKey
YQBPLKJZELWYDH-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

186.9704 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97768 130.3
[M+Na]+ 209.95962 143.8
[M-H]- 185.96312 130.6
[M+NH4]+ 205.00422 147.1
[M+K]+ 225.93356 138.9
[M+H-H2O]+ 169.96766 118.3
[M+HCOO]- 231.96860 140.5
[M+CH3COO]- 245.98425 193.1
[M+Na-2H]- 207.94507 136.3
[M]+ 186.96985 128.2
[M]- 186.97095 128.2
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