CID 137942775

2260918-03-2

Structural Information

Molecular Formula

C₅H₆FNO₂S

SMILES

C1C(CC1S(=O)(=O)F)C#N

InChI

InChI=1S/C5H6FNO2S/c6-10(8,9)5-1-4(2-5)3-7/h4-5H,1-2H2

InChIKey

HJXNVZXEHMYEGJ-UHFFFAOYSA-N

Compound name

3-cyanocyclobutane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.01033 Da
Monoisotopic Mass: 0.4
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	125.4
[M+Na]+	185.999548	133.6
[M-H]-	162.003054	128.6
[M+NH4]+	181.044153	138.7
[M+K]+	201.973488	136.9
[M+H-H2O]+	146.007590	108.9
[M+HCOO]-	208.008531	137.9
[M+CH3COO]-	222.024181	189.7
[M+Na-2H]-	183.984996	128.8
[M]+	163.00978142	128.6
[M]-	163.01087858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.