CID 22159357

854267-89-3

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1CC1(C#N)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H7ClN2/c10-8-2-1-7(5-12-8)9(6-11)3-4-9/h1-2,5H,3-4H2
InChIKey
FBIJKNDFKKNDOI-UHFFFAOYSA-N
Compound name
1-(6-chloropyridin-3-yl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

178.02977 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 132.6
[M+Na]+ 201.01899 150.1
[M-H]- 177.02249 139.8
[M+NH4]+ 196.06359 149.3
[M+K]+ 216.99293 142.0
[M+H-H2O]+ 161.02703 123.2
[M+HCOO]- 223.02797 150.3
[M+CH3COO]- 237.04362 146.7
[M+Na-2H]- 199.00444 142.1
[M]+ 178.02922 132.9
[M]- 178.03032 132.9
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