CID 97630

392-86-9

Structural Information

Molecular Formula

C₆H₆FNO₂S

SMILES

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

InChI

InChI=1S/C6H6FNO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H,8H2

InChIKey

OYJFEOGFHBNHRT-UHFFFAOYSA-N

Compound name

2-aminobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 175.01033 Da
Monoisotopic Mass: 1.4
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]+	176.01761	129.6
[M+Na]+	197.99955	139.3
[M-H]-	174.00305	132.3
[M+NH4]+	193.04415	149.9
[M+K]+	213.97349	136.2
[M+H-H2O]+	158.00759	123.5
[M+HCOO]-	220.00853	148.4
[M+CH3COO]-	234.02418	176.8
[M+Na-2H]-	195.98500	134.7
[M]+	175.00978	129.0
[M]-	175.01088	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe