CID 466873

2-chloroethyl 3-cyano-3h-benzo[f]quinoline-4-carboxylate

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(N3C(=O)OCCCl)C#N
InChI
InChI=1S/C17H13ClN2O2/c18-9-10-22-17(21)20-13(11-19)6-7-15-14-4-2-1-3-12(14)5-8-16(15)20/h1-8,13H,9-10H2
InChIKey
OYJNTCRAWXFLHQ-UHFFFAOYSA-N
Compound name
2-chloroethyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 171.7
[M+Na]+ 335.05578 183.6
[M-H]- 311.05928 174.2
[M+NH4]+ 330.10038 186.4
[M+K]+ 351.02972 174.5
[M+H-H2O]+ 295.06382 158.2
[M+HCOO]- 357.06476 182.7
[M+CH3COO]- 371.08041 181.2
[M+Na-2H]- 333.04123 176.4
[M]+ 312.06601 169.9
[M]- 312.06711 169.9
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

No patent data available for this compound.