CID 118142930

1789728-01-3

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1CC(=O)C2=CN=C(C=C21)Cl
InChI
InChI=1S/C8H6ClNO/c9-8-3-5-1-2-7(11)6(5)4-10-8/h3-4H,1-2H2
InChIKey
IFLYOMGKTMVBHU-UHFFFAOYSA-N
Compound name
3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

167.0138 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 130.4
[M+Na]+ 190.00302 141.6
[M-H]- 166.00652 133.9
[M+NH4]+ 185.04762 153.7
[M+K]+ 205.97696 137.4
[M+H-H2O]+ 150.01106 125.3
[M+HCOO]- 212.01200 149.0
[M+CH3COO]- 226.02765 145.1
[M+Na-2H]- 187.98847 136.8
[M]+ 167.01325 131.9
[M]- 167.01435 131.9
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