CID 12127911

151198-85-5

Structural Information

Molecular Formula

C₃HF₆NO₃S

SMILES

C(=O)(C(F)(F)F)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3HF6NO3S/c4-2(5,6)1(11)10-14(12,13)3(7,8)9/h(H,10,11)

InChIKey

CFYBHDCZEADVJH-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(trifluoromethylsulfonyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 829
Patents: 244.95813 Da
Monoisotopic Mass: 1.4
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]+	245.96541	135.6
[M+Na]+	267.94735	144.6
[M-H]-	243.95085	128.8
[M+NH4]+	262.99195	152.5
[M+K]+	283.92129	142.7
[M+H-H2O]+	227.95539	126.4
[M+HCOO]-	289.95633	145.2
[M+CH3COO]-	303.97198	187.1
[M+Na-2H]-	265.93280	139.4
[M]+	244.95758	128.9
[M]-	244.95868	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe