CID 121552267

1-methyl-1h-pyrrole-2-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₆FNO₂S

SMILES

CN1C=CC=C1S(=O)(=O)F

InChI

InChI=1S/C5H6FNO2S/c1-7-4-2-3-5(7)10(6,8)9/h2-4H,1H3

InChIKey

KLNFFLXBDQXPIP-UHFFFAOYSA-N

Compound name

1-methylpyrrole-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.01033 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]+	164.017606	127.6
[M+Na]+	185.999548	138.8
[M-H]-	162.003054	129.9
[M+NH4]+	181.044153	149.7
[M+K]+	201.973488	137.0
[M+H-H2O]+	146.007590	121.9
[M+HCOO]-	208.008531	145.9
[M+CH3COO]-	222.024181	172.3
[M+Na-2H]-	183.984996	131.4
[M]+	163.00978142	129.8
[M]-	163.01087858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.