CID 129915204

6-acetyl-5-chloropyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
CC(=O)C1=C(C=C(C=N1)C#N)Cl
InChI
InChI=1S/C8H5ClN2O/c1-5(12)8-7(9)2-6(3-10)4-11-8/h2,4H,1H3
InChIKey
MXNBRBOHKSKDPO-UHFFFAOYSA-N
Compound name
6-acetyl-5-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.00903 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01631 133.1
[M+Na]+ 202.99825 146.7
[M+NH4]+ 198.04285 138.0
[M+K]+ 218.97219 137.4
[M-H]- 179.00175 127.4
[M+Na-2H]- 200.98370 137.7
[M]+ 180.00848 132.8
[M]- 180.00958 132.8
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.