CID 91670311

3-methylpyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula

C₆H₆FNO₂S

SMILES

CC1=C(C=CN=C1)S(=O)(=O)F

InChI

InChI=1S/C6H6FNO2S/c1-5-4-8-3-2-6(5)11(7,9)10/h2-4H,1H3

InChIKey

NIHPLOBDJIXVGU-UHFFFAOYSA-N

Compound name

3-methylpyridine-4-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.01033 Da
Monoisotopic Mass: 1.0
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]+	176.017606	129.4
[M+Na]+	197.999548	140.1
[M-H]-	174.003054	131.4
[M+NH4]+	193.044153	149.1
[M+K]+	213.973488	137.5
[M+H-H2O]+	158.007590	123.0
[M+HCOO]-	220.008531	146.6
[M+CH3COO]-	234.024181	175.3
[M+Na-2H]-	195.984996	135.1
[M]+	175.00978142	131.1
[M]-	175.01087858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.