CID 131270

Flosequinoxan

Structural Information

Molecular Formula

C₁₁H₁₀FNO₃S

SMILES

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

InChI

InChI=1S/C11H10FNO3S/c1-13-6-10(17(2,15)16)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3

InChIKey

ZUMVHPMHCIKNFT-UHFFFAOYSA-N

Compound name

7-fluoro-1-methyl-3-methylsulfonylquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 30
Patents: 255.03654 Da
Monoisotopic Mass: 1.2
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]+	256.04382	149.3
[M+Na]+	278.02576	161.9
[M-H]-	254.02926	152.6
[M+NH4]+	273.07036	167.4
[M+K]+	293.99970	157.6
[M+H-H2O]+	238.03380	142.6
[M+HCOO]-	300.03474	165.1
[M+CH3COO]-	314.05039	192.8
[M+Na-2H]-	276.01121	154.3
[M]+	255.03599	153.7
[M]-	255.03709	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe