CID 53816183

2731014-02-9

Structural Information

Molecular Formula

C₇H₈FNO₂S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)CN

InChI

InChI=1S/C7H8FNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

InChIKey

FSMSVHSBCLBPJV-UHFFFAOYSA-N

Compound name

3-(aminomethyl)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 189.02597 Da
Monoisotopic Mass: 0.0
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	136.8
[M+Na]+	212.01519	147.0
[M+NH4]+	207.05979	144.1
[M+K]+	227.98913	140.3
[M-H]-	188.01869	136.8
[M+Na-2H]-	210.00064	142.0
[M]+	189.02542	138.5
[M]-	189.02652	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe