CID 12355082

2-chloro-6-methylpyrimidine-4-carbonitrile

Structural Information

Molecular Formula
C6H4ClN3
SMILES
CC1=CC(=NC(=N1)Cl)C#N
InChI
InChI=1S/C6H4ClN3/c1-4-2-5(3-8)10-6(7)9-4/h2H,1H3
InChIKey
SDYFYBAYSDNFRP-UHFFFAOYSA-N
Compound name
2-chloro-6-methylpyrimidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

153.00937 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 124.7
[M+Na]+ 175.99859 137.2
[M-H]- 152.00209 125.4
[M+NH4]+ 171.04319 142.2
[M+K]+ 191.97253 133.6
[M+H-H2O]+ 136.00663 111.9
[M+HCOO]- 198.00757 139.7
[M+CH3COO]- 212.02322 187.9
[M+Na-2H]- 173.98404 132.2
[M]+ 153.00882 121.6
[M]- 153.00992 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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