CID 53408519

1187933-46-5

Structural Information

Molecular Formula

C₁₁H₁₂FNO

SMILES

CC1(CC(=O)NC2=C1C=CC=C2F)C

InChI

InChI=1S/C11H12FNO/c1-11(2)6-9(14)13-10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3,(H,13,14)

InChIKey

QXQVWZSZFKWXFW-UHFFFAOYSA-N

Compound name

8-fluoro-4,4-dimethyl-1,3-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 193.09029 Da
Monoisotopic Mass: 2.0
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]+	194.09757	139.5
[M+Na]+	216.07951	149.3
[M-H]-	192.08301	140.5
[M+NH4]+	211.12411	160.6
[M+K]+	232.05345	145.2
[M+H-H2O]+	176.08755	133.0
[M+HCOO]-	238.08849	157.0
[M+CH3COO]-	252.10414	182.3
[M+Na-2H]-	214.06496	145.9
[M]+	193.08974	135.8
[M]-	193.09084	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe