CID 22265265

4-chloroquinoline-5-carbonitrile

Structural Information

Molecular Formula
C10H5ClN2
SMILES
C1=CC(=C2C(=C1)N=CC=C2Cl)C#N
InChI
InChI=1S/C10H5ClN2/c11-8-4-5-13-9-3-1-2-7(6-12)10(8)9/h1-5H
InChIKey
CZFLCFMMESPBGQ-UHFFFAOYSA-N
Compound name
4-chloroquinoline-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

188.01413 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe