CID 11564601

2-chloroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H5ClN2
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)C#N
InChI
InChI=1S/C10H5ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H
InChIKey
UGTRDMPALMEDBU-UHFFFAOYSA-N
Compound name
2-chloroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

124
Patents

188.01413 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02141 137.9
[M+Na]+ 211.00335 151.2
[M-H]- 187.00685 140.5
[M+NH4]+ 206.04795 156.4
[M+K]+ 226.97729 144.2
[M+H-H2O]+ 171.01139 125.7
[M+HCOO]- 233.01233 152.9
[M+CH3COO]- 247.02798 150.3
[M+Na-2H]- 208.98880 146.1
[M]+ 188.01358 134.8
[M]- 188.01468 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe