CID 799031

515-47-9

Structural Information

Molecular Formula

C₉H₁₂FNO₂S

SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C9H12FNO2S/c1-7(2)11-14(12,13)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3

InChIKey

VCQVCWMGKZCDLZ-UHFFFAOYSA-N

Compound name

4-fluoro-N-propan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 217.05728 Da
Monoisotopic Mass: 1.8
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]+	218.06456	145.6
[M+Na]+	240.04650	155.4
[M+NH4]+	235.09110	152.7
[M+K]+	256.02044	148.8
[M-H]-	216.05000	145.5
[M+Na-2H]-	238.03195	150.5
[M]+	217.05673	147.2
[M]-	217.05783	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe