CID 75478987

(2-aminoethyl)[(2,2,2-trifluoroethyl)sulfamoyl]amine hydrochloride

Structural Information

Molecular Formula

C₄H₁₀F₃N₃O₂S

SMILES

C(CNS(=O)(=O)NCC(F)(F)F)N

InChI

InChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10-13(11,12)9-2-1-8/h9-10H,1-3,8H2

InChIKey

PYPZKIGKXXCANI-UHFFFAOYSA-N

Compound name

N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.04459 Da
Monoisotopic Mass: -0.8
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]+	222.051866	137.9
[M+Na]+	244.033808	144.2
[M-H]-	220.037314	133.6
[M+NH4]+	239.078413	155.0
[M+K]+	260.007748	141.7
[M+H-H2O]+	204.041850	129.5
[M+HCOO]-	266.042791	153.5
[M+CH3COO]-	280.058441	189.8
[M+Na-2H]-	242.019256	142.4
[M]+	221.04404142	133.3
[M]-	221.04513858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.