CID 86690583

1-(4-chloropyridin-2-yl)cyclopropane-1-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

178.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037046 132.6
[M+Na]+ 201.018988 150.1
[M-H]- 177.022494 139.8
[M+NH4]+ 196.063593 149.3
[M+K]+ 216.992928 142.0
[M+H-H2O]+ 161.027030 123.2
[M+HCOO]- 223.027971 150.3
[M+CH3COO]- 237.043621 146.7
[M+Na-2H]- 199.004436 142.1
[M]+ 178.02922142 132.9
[M]- 178.03031858 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