CID 2783385

2-fluoro-4-(methylsulfonyl)aniline

Structural Information

Molecular Formula

C₇H₈FNO₂S

SMILES

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

InChI

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

InChIKey

UGUIBNHHDIEZJI-UHFFFAOYSA-N

Compound name

2-fluoro-4-methylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 189.02597 Da
Monoisotopic Mass: 0.7
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	137.2
[M+Na]+	212.01519	147.8
[M+NH4]+	207.05979	144.6
[M+K]+	227.98913	141.3
[M-H]-	188.01869	137.3
[M+Na-2H]-	210.00064	142.2
[M]+	189.02542	139.0
[M]-	189.02652	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe