CID 45036993

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

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