CID 122163232

1h-pyrrole-2-sulfonyl fluoride

Structural Information

Molecular Formula

C₄H₄FNO₂S

SMILES

C1=CNC(=C1)S(=O)(=O)F

InChI

InChI=1S/C4H4FNO2S/c5-9(7,8)4-2-1-3-6-4/h1-3,6H

InChIKey

HPJHRBLPTCWNSS-UHFFFAOYSA-N

Compound name

1H-pyrrole-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 148.99467 Da
Monoisotopic Mass: 0.8
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]+	150.001946	124.4
[M+Na]+	171.983888	134.7
[M-H]-	147.987394	124.9
[M+NH4]+	167.028493	146.0
[M+K]+	187.957828	132.2
[M+H-H2O]+	131.991930	118.7
[M+HCOO]-	193.992871	141.5
[M+CH3COO]-	208.008521	165.5
[M+Na-2H]-	169.969336	128.8
[M]+	148.99412142	123.9
[M]-	148.99521858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe