CID 21265546

67497-95-4

Structural Information

Molecular Formula

C₂H₄F₃NO₂S

SMILES

C(C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C2H4F3NO2S/c3-2(4,5)1-9(6,7)8/h1H2,(H2,6,7,8)

InChIKey

JATIGRDCWBXQRA-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 571
Patents: 162.99149 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]+	163.99877	123.3
[M+Na]+	185.98071	132.4
[M-H]-	161.98421	119.8
[M+NH4]+	181.02531	143.7
[M+K]+	201.95465	130.7
[M+H-H2O]+	145.98875	116.6
[M+HCOO]-	207.98969	137.7
[M+CH3COO]-	222.00534	173.6
[M+Na-2H]-	183.96616	127.8
[M]+	162.99094	119.8
[M]-	162.99204	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe