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	141.8
[M+Na]+	216.07951	154.6
[M+NH4]+	211.12411	151.6
[M+K]+	232.05345	145.8
[M-H]-	192.08301	142.5
[M+Na-2H]-	214.06496	148.2
[M]+	193.08974	143.9
[M]-	193.09084	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe