CID 70968688

4-acetyl-3-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₈FNO₃S

SMILES

CC(=O)C1=C(C=C(C=C1)S(=O)(=O)N)F

InChI

InChI=1S/C8H8FNO3S/c1-5(11)7-3-2-6(4-8(7)9)14(10,12)13/h2-4H,1H3,(H2,10,12,13)

InChIKey

KJOIQXJZNUTIBY-UHFFFAOYSA-N

Compound name

4-acetyl-3-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.02089 Da
Monoisotopic Mass: 0.3
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]+	218.02817	144.2
[M+Na]+	240.01011	153.8
[M+NH4]+	235.05471	150.4
[M+K]+	255.98405	148.3
[M-H]-	216.01361	143.2
[M+Na-2H]-	237.99556	148.1
[M]+	217.02034	145.4
[M]-	217.02144	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe