CID 3588153

Methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C17H12FNO2
SMILES
COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H12FNO2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey
JLPCIFSCLMVANF-UHFFFAOYSA-N
Compound name
methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.0852 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09248 162.5
[M+Na]+ 304.07442 172.0
[M-H]- 280.07792 167.9
[M+NH4]+ 299.11902 178.0
[M+K]+ 320.04836 167.0
[M+H-H2O]+ 264.08246 152.8
[M+HCOO]- 326.08340 182.8
[M+CH3COO]- 340.09905 174.5
[M+Na-2H]- 302.05987 168.1
[M]+ 281.08465 163.3
[M]- 281.08575 163.3
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

patents stripe