CID 145915606

2402839-23-8

Structural Information

Molecular Formula

C₄H₁₀FNO₃S

SMILES

C(COCCS(=O)(=O)F)N

InChI

InChI=1S/C4H10FNO3S/c5-10(7,8)4-3-9-2-1-6/h1-4,6H2

InChIKey

PCAPWTOWMUTPDR-UHFFFAOYSA-N

Compound name

2-(2-aminoethoxy)ethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.03654 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]+	172.04382	130.7
[M+Na]+	194.02576	138.5
[M-H]-	170.02926	129.4
[M+NH4]+	189.07036	150.9
[M+K]+	209.99970	137.0
[M+H-H2O]+	154.03380	124.8
[M+HCOO]-	216.03474	148.4
[M+CH3COO]-	230.05039	176.4
[M+Na-2H]-	192.01121	134.7
[M]+	171.03599	132.6
[M]-	171.03709	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.