CID 22413775

166883-03-0

Structural Information

Molecular Formula

C₁₀H₁₀FNO

SMILES

CN1C(=O)CCC2=C1C=C(C=C2)F

InChI

InChI=1S/C10H10FNO/c1-12-9-6-8(11)4-2-7(9)3-5-10(12)13/h2,4,6H,3,5H2,1H3

InChIKey

ZHZRLOXSTPINQH-UHFFFAOYSA-N

Compound name

7-fluoro-1-methyl-3,4-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 179.07465 Da
Monoisotopic Mass: 1.3
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]+	180.081926	134.4
[M+Na]+	202.063868	144.0
[M-H]-	178.067374	136.6
[M+NH4]+	197.108473	154.8
[M+K]+	218.037808	140.8
[M+H-H2O]+	162.071910	127.3
[M+HCOO]-	224.072851	153.8
[M+CH3COO]-	238.088501	182.3
[M+Na-2H]-	200.049316	140.7
[M]+	179.07410142	131.9
[M]-	179.07519858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe