CID 12243318

4-chloroquinoline-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

188.01413 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe