CID 611372

15524-46-6

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
C1CC2=C(C1)C(=NC(=C2C#N)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-8-6-3-1-2-5(6)7(4-12)9(11)13-8/h1-3H2
InChIKey
ZCRYHTATGWYSMB-UHFFFAOYSA-N
Compound name
1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

211.9908 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.998076 144.1
[M+Na]+ 234.980018 158.1
[M-H]- 210.983524 146.3
[M+NH4]+ 230.024623 163.9
[M+K]+ 250.953958 150.1
[M+H-H2O]+ 194.988060 132.8
[M+HCOO]- 256.989001 154.2
[M+CH3COO]- 271.004651 156.1
[M+Na-2H]- 232.965466 148.0
[M]+ 211.99025142 141.3
[M]- 211.99134858 141.3
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