CID 4611098

6-chloro-[2,3']bipyridinyl-5-carbonitrile

Structural Information

Molecular Formula
C11H6ClN3
SMILES
C1=CC(=CN=C1)C2=NC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C11H6ClN3/c12-11-8(6-13)3-4-10(15-11)9-2-1-5-14-7-9/h1-5,7H
InChIKey
RVBMVHJVENJEOQ-UHFFFAOYSA-N
Compound name
2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.02502 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03230 144.3
[M+Na]+ 238.01424 156.5
[M-H]- 214.01774 146.8
[M+NH4]+ 233.05884 159.0
[M+K]+ 253.98818 149.8
[M+H-H2O]+ 198.02228 129.6
[M+HCOO]- 260.02322 158.8
[M+CH3COO]- 274.03887 155.6
[M+Na-2H]- 235.99969 151.2
[M]+ 215.02447 140.4
[M]- 215.02557 140.4
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

No patent data available for this compound.