CID 14905657

134478-70-9

Structural Information

Molecular Formula
C15H11ClFNO3
SMILES
CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)Cl)CC#C
InChI
InChI=1S/C15H11ClFNO3/c1-3-5-18-8-10(15(20)21-4-2)14(19)9-6-12(17)11(16)7-13(9)18/h1,6-8H,4-5H2,2H3
InChIKey
JCXDNWKUPWPDPJ-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-6-fluoro-4-oxo-1-prop-2-ynylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.04114 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04842 161.6
[M+Na]+ 330.03036 175.6
[M-H]- 306.03386 162.4
[M+NH4]+ 325.07496 175.9
[M+K]+ 346.00430 168.0
[M+H-H2O]+ 290.03840 148.8
[M+HCOO]- 352.03934 172.1
[M+CH3COO]- 366.05499 210.5
[M+Na-2H]- 328.01581 163.4
[M]+ 307.04059 161.2
[M]- 307.04169 161.2
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.