CID 15673148

141956-37-8

Structural Information

Molecular Formula

C₄H₆F₃NO₄S

SMILES

C(CNS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C4H6F3NO4S/c5-4(6,7)13(11,12)8-2-1-3(9)10/h8H,1-2H2,(H,9,10)

InChIKey

VVKOBHARLVYDML-UHFFFAOYSA-N

Compound name

3-(trifluoromethylsulfonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 220.99696 Da
Monoisotopic Mass: 0.0
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]+	222.00424	136.8
[M+Na]+	243.98618	144.2
[M-H]-	219.98968	131.9
[M+NH4]+	239.03078	154.0
[M+K]+	259.96012	142.2
[M+H-H2O]+	203.99422	129.6
[M+HCOO]-	265.99516	149.3
[M+CH3COO]-	280.01081	181.8
[M+Na-2H]-	241.97163	140.4
[M]+	220.99641	134.6
[M]-	220.99751	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe