CID 71755944

1384429-42-8

Structural Information

Molecular Formula

C₇H₈FNO₂S

SMILES

CC1=CC(=CC(=C1)S(=O)(=O)N)F

InChI

InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)

InChIKey

RMTMZIARFLDIKQ-UHFFFAOYSA-N

Compound name

3-fluoro-5-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.02597 Da
Monoisotopic Mass: 1.0
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]+	190.03325	133.7
[M+Na]+	212.01519	143.7
[M-H]-	188.01869	136.5
[M+NH4]+	207.05979	153.7
[M+K]+	227.98913	140.4
[M+H-H2O]+	172.02323	127.6
[M+HCOO]-	234.02417	152.0
[M+CH3COO]-	248.03982	181.0
[M+Na-2H]-	210.00064	137.6
[M]+	189.02542	133.8
[M]-	189.02652	133.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.