CID 16787422

3-fluoro-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₇H₈FNO₂S

SMILES

CNS(=O)(=O)C1=CC=CC(=C1)F

InChI

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

InChIKey

JLPKZUKWVUXWMU-UHFFFAOYSA-N

Compound name

3-fluoro-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
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	142.9
[M-H]-	188.01869	136.7
[M+NH4]+	207.05979	153.7
[M+K]+	227.98913	140.0
[M+H-H2O]+	172.02323	127.3
[M+HCOO]-	234.02417	152.7
[M+CH3COO]-	248.03982	180.5
[M+Na-2H]-	210.00064	139.3
[M]+	189.02542	134.4
[M]-	189.02652	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe