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

21
Patents

211.9908 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99808 144.1
[M+Na]+ 234.98002 158.1
[M-H]- 210.98352 146.3
[M+NH4]+ 230.02462 163.9
[M+K]+ 250.95396 150.1
[M+H-H2O]+ 194.98806 132.8
[M+HCOO]- 256.98900 154.2
[M+CH3COO]- 271.00465 156.1
[M+Na-2H]- 232.96547 148.0
[M]+ 211.99025 141.3
[M]- 211.99135 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