CID 154814357

2551117-65-6

Structural Information

Molecular Formula

C₃H₈FNO₂S

SMILES

CC(CN)S(=O)(=O)F

InChI

InChI=1S/C3H8FNO2S/c1-3(2-5)8(4,6)7/h3H,2,5H2,1H3

InChIKey

KLASHPJAINFNBC-UHFFFAOYSA-N

Compound name

1-aminopropane-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.02597 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]+	142.03325	126.7
[M+Na]+	164.01519	134.0
[M+NH4]+	159.05979	133.2
[M+K]+	179.98913	129.3
[M-H]-	140.01869	123.7
[M+Na-2H]-	162.00064	128.3
[M]+	141.02542	126.9
[M]-	141.02652	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.