CID 79001

Trifluoromethanesulfonamide

Structural Information

Molecular Formula

CH₂F₃NO₂S

SMILES

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

InChI

InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)

InChIKey

KAKQVSNHTBLJCH-UHFFFAOYSA-N

Compound name

trifluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 27
References: 12113
Patents: 148.97583 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]+	149.98311	118.7
[M+Na]+	171.96505	128.2
[M-H]-	147.96855	115.5
[M+NH4]+	167.00965	139.7
[M+K]+	187.93899	126.8
[M+H-H2O]+	131.97309	112.2
[M+HCOO]-	193.97403	133.5
[M+CH3COO]-	207.98968	170.5
[M+Na-2H]-	169.95050	123.7
[M]+	148.97528	114.9
[M]-	148.97638	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe