CID 11666615

426842-84-4

Structural Information

Molecular Formula

C₁₀H₇FINO

SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)I

InChI

InChI=1S/C10H7FINO/c1-14-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-5H,1H3

InChIKey

WDTCYDQYUFTEFZ-UHFFFAOYSA-N

Compound name

3-fluoro-4-iodo-6-methoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 302.95563 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.96291	140.5
[M+Na]+	325.94485	144.3
[M-H]-	301.94835	136.0
[M+NH4]+	320.98945	155.3
[M+K]+	341.91879	146.9
[M+H-H2O]+	285.95289	129.6
[M+HCOO]-	347.95383	157.3
[M+CH3COO]-	361.96948	193.6
[M+Na-2H]-	323.93030	136.8
[M]+	302.95508	139.0
[M]-	302.95618	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe