CID 60997244

1178204-81-3

Structural Information

Molecular Formula

C₁₁H₁₀FNO

SMILES

CC1=C(NC2=C(C1=O)C=CC=C2F)C

InChI

InChI=1S/C11H10FNO/c1-6-7(2)13-10-8(11(6)14)4-3-5-9(10)12/h3-5H,1-2H3,(H,13,14)

InChIKey

TZDZZIWEBDGFBS-UHFFFAOYSA-N

Compound name

8-fluoro-2,3-dimethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 191.07465 Da
Monoisotopic Mass: 2.4
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]+	192.08193	136.7
[M+Na]+	214.06387	148.4
[M-H]-	190.06737	138.4
[M+NH4]+	209.10847	156.4
[M+K]+	230.03781	143.7
[M+H-H2O]+	174.07191	129.9
[M+HCOO]-	236.07285	157.0
[M+CH3COO]-	250.08850	183.4
[M+Na-2H]-	212.04932	143.3
[M]+	191.07410	136.0
[M]-	191.07520	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe