CID 13860976

5-chloro-4-methylpyrimidine-2-carbonitrile

Structural Information

Molecular Formula
C6H4ClN3
SMILES
CC1=NC(=NC=C1Cl)C#N
InChI
InChI=1S/C6H4ClN3/c1-4-5(7)3-9-6(2-8)10-4/h3H,1H3
InChIKey
DVEAHBJWTRUMQV-UHFFFAOYSA-N
Compound name
5-chloro-4-methylpyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.00937 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 127.0
[M+Na]+ 175.99859 141.4
[M+NH4]+ 171.04319 132.3
[M+K]+ 191.97253 131.7
[M-H]- 152.00209 121.4
[M+Na-2H]- 173.98404 132.5
[M]+ 153.00882 127.0
[M]- 153.00992 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.