CID 87787215

2901103-11-3

Structural Information

Molecular Formula

C₇H₈FNO₂S

SMILES

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

InChI

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

InChIKey

FZQBCQUNFOGHSF-UHFFFAOYSA-N

Compound name

2-(aminomethyl)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.02597 Da
Monoisotopic Mass: 0.6
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	134.2
[M+Na]+	212.01519	143.4
[M-H]-	188.01869	136.6
[M+NH4]+	207.05979	153.9
[M+K]+	227.98913	140.1
[M+H-H2O]+	172.02323	127.8
[M+HCOO]-	234.02417	152.6
[M+CH3COO]-	248.03982	179.8
[M+Na-2H]-	210.00064	138.8
[M]+	189.02542	133.9
[M]-	189.02652	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.