CID 75480958

4-(1h-pyrrol-1-yl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₁₀H₈FNO₂S

SMILES

C1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)F

InChI

InChI=1S/C10H8FNO2S/c11-15(13,14)10-5-3-9(4-6-10)12-7-1-2-8-12/h1-8H

InChIKey

WVHMNUTWELGLOG-UHFFFAOYSA-N

Compound name

4-pyrrol-1-ylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.02597 Da
Monoisotopic Mass: 2.9
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]+	226.033246	144.6
[M+Na]+	248.015188	155.4
[M-H]-	224.018694	149.9
[M+NH4]+	243.059793	164.0
[M+K]+	263.989128	151.6
[M+H-H2O]+	208.023230	137.6
[M+HCOO]-	270.024171	163.1
[M+CH3COO]-	284.039821	183.0
[M+Na-2H]-	246.000636	148.4
[M]+	225.02542142	146.3
[M]-	225.02651858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.