CID 67608

329-20-4

Structural Information

Molecular Formula

C₈H₈FNO₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)F

InChI

InChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)

InChIKey

HRQHLUBMODFETM-UHFFFAOYSA-N

Compound name

4-acetamidobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 10
Patents: 217.02089 Da
Monoisotopic Mass: 2.2
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]+	218.02817	144.0
[M+Na]+	240.01011	153.6
[M+NH4]+	235.05471	150.4
[M+K]+	255.98405	147.7
[M-H]-	216.01361	143.1
[M+Na-2H]-	237.99556	148.6
[M]+	217.02034	145.3
[M]-	217.02144	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe