CID 12955991

Piperidine-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₁₀FNO₂S

SMILES

C1CCN(CC1)S(=O)(=O)F

InChI

InChI=1S/C5H10FNO2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2

InChIKey

SSXRYWUKQFCOIW-UHFFFAOYSA-N

Compound name

piperidine-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 167.04163 Da
Monoisotopic Mass: 0.9
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]+	168.04891	130.5
[M+Na]+	190.03085	137.5
[M-H]-	166.03435	131.1
[M+NH4]+	185.07545	149.9
[M+K]+	206.00479	136.0
[M+H-H2O]+	150.03889	124.1
[M+HCOO]-	212.03983	143.7
[M+CH3COO]-	226.05548	172.2
[M+Na-2H]-	188.01630	134.5
[M]+	167.04108	127.3
[M]-	167.04218	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe