CID 73554207

4,7-dichloro-5h,6h,7h-cyclopenta[b]pyridine

Structural Information

Molecular Formula
C8H7Cl2N
SMILES
C1CC2=C(C=CN=C2C1Cl)Cl
InChI
InChI=1S/C8H7Cl2N/c9-6-3-4-11-8-5(6)1-2-7(8)10/h3-4,7H,1-2H2
InChIKey
ZDQTXRYHERHCDQ-UHFFFAOYSA-N
Compound name
4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.99556 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00284 135.8
[M+Na]+ 209.98478 147.0
[M-H]- 185.98828 138.3
[M+NH4]+ 205.02938 158.6
[M+K]+ 225.95872 141.5
[M+H-H2O]+ 169.99282 131.0
[M+HCOO]- 231.99376 148.6
[M+CH3COO]- 246.00941 149.5
[M+Na-2H]- 207.97023 141.1
[M]+ 186.99501 137.4
[M]- 186.99611 137.4
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.