CID 12467379

4-chloroquinoline-3-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

188.01413 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.021406 137.9
[M+Na]+ 211.003348 151.2
[M-H]- 187.006854 140.5
[M+NH4]+ 206.047953 156.4
[M+K]+ 226.977288 144.2
[M+H-H2O]+ 171.011390 125.7
[M+HCOO]- 233.012331 152.9
[M+CH3COO]- 247.027981 150.3
[M+Na-2H]- 208.988796 146.1
[M]+ 188.01358142 134.8
[M]- 188.01467858 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