CID 370193

Nsc642934

Structural Information

Molecular Formula
C14H12ClNO3
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C3=C1CCO3
InChI
InChI=1S/C14H12ClNO3/c1-2-18-14(17)12-9-5-6-19-13(9)10-7-8(15)3-4-11(10)16-12/h3-4,7H,2,5-6H2,1H3
InChIKey
KLVNKYNYMFKWAC-UHFFFAOYSA-N
Compound name
ethyl 8-chloro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.05057 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05785 159.6
[M+Na]+ 300.03979 170.1
[M-H]- 276.04329 164.6
[M+NH4]+ 295.08439 178.1
[M+K]+ 316.01373 166.5
[M+H-H2O]+ 260.04783 153.6
[M+HCOO]- 322.04877 174.4
[M+CH3COO]- 336.06442 172.4
[M+Na-2H]- 298.02524 164.5
[M]+ 277.05002 165.4
[M]- 277.05112 165.4
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.