CID 165531914

2751610-17-8

Structural Information

Molecular Formula

C₄H₁₀FNO₂S

SMILES

CNCCCS(=O)(=O)F

InChI

InChI=1S/C4H10FNO2S/c1-6-3-2-4-9(5,7)8/h6H,2-4H2,1H3

InChIKey

UWLKXMVTVQPEJB-UHFFFAOYSA-N

Compound name

3-(methylamino)propane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.04163 Da
Monoisotopic Mass: 0.1
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]+	156.04891	127.4
[M+Na]+	178.03085	135.3
[M-H]-	154.03435	126.7
[M+NH4]+	173.07545	148.6
[M+K]+	194.00479	133.9
[M+H-H2O]+	138.03889	121.8
[M+HCOO]-	200.03983	145.5
[M+CH3COO]-	214.05548	175.0
[M+Na-2H]-	176.01630	132.2
[M]+	155.04108	128.8
[M]-	155.04218	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.