CID 112704358

Dtxsid701348989

Structural Information

Molecular Formula

C₈H₈FNO₃S

SMILES

CC(=O)NC1=CC=CC=C1S(=O)(=O)F

InChI

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

InChIKey

HFMREOAQIWKBEK-UHFFFAOYSA-N

Compound name

2-acetamidobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.02089 Da
Monoisotopic Mass: 1.1
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	140.7
[M+Na]+	240.01011	149.4
[M-H]-	216.01361	143.6
[M+NH4]+	235.05471	159.4
[M+K]+	255.98405	146.6
[M+H-H2O]+	200.01815	134.1
[M+HCOO]-	262.01909	158.8
[M+CH3COO]-	276.03474	184.9
[M+Na-2H]-	237.99556	144.9
[M]+	217.02034	141.8
[M]-	217.02144	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe