CID 85642140

2305252-58-6

Structural Information

Molecular Formula

C₄H₉FN₂O₂S

SMILES

C1CN(CCN1)S(=O)(=O)F

InChI

InChI=1S/C4H9FN2O2S/c5-10(8,9)7-3-1-6-2-4-7/h6H,1-4H2

InChIKey

DUCYWFHQRQRBCR-UHFFFAOYSA-N

Compound name

piperazine-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.03688 Da
Monoisotopic Mass: -0.6
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]+	169.04416	131.3
[M+Na]+	191.02610	138.3
[M-H]-	167.02960	129.1
[M+NH4]+	186.07070	148.5
[M+K]+	207.00004	135.9
[M+H-H2O]+	151.03414	124.4
[M+HCOO]-	213.03508	142.0
[M+CH3COO]-	227.05073	169.4
[M+Na-2H]-	189.01155	135.2
[M]+	168.03633	126.2
[M]-	168.03743	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe