CID 466918

(4-chlorophenyl) 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C17H11ClN2O2
SMILES
C1=CC=C2C(=C1)C=CC(N2C(=O)OC3=CC=C(C=C3)Cl)C#N
InChI
InChI=1S/C17H11ClN2O2/c18-13-6-9-15(10-7-13)22-17(21)20-14(11-19)8-5-12-3-1-2-4-16(12)20/h1-10,14H
InChIKey
PVDQJDYFKSWVSX-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.0509 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05818 172.4
[M+Na]+ 333.04012 184.2
[M-H]- 309.04362 176.8
[M+NH4]+ 328.08472 185.8
[M+K]+ 349.01406 175.4
[M+H-H2O]+ 293.04816 158.0
[M+HCOO]- 355.04910 184.7
[M+CH3COO]- 369.06475 182.0
[M+Na-2H]- 331.02557 176.2
[M]+ 310.05035 169.3
[M]- 310.05145 169.3
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

No patent data available for this compound.