CID 12929868

2,2,2-trifluoroethanesulfonyl fluoride

Structural Information

Molecular Formula

C₂H₂F₄O₂S

SMILES

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

InChI

InChI=1S/C2H2F4O2S/c3-2(4,5)1-9(6,7)8/h1H2

InChIKey

NXCZIGSWSGUJGX-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 165.97116 Da
Monoisotopic Mass: 1.3
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]+	166.97844	120.9
[M+Na]+	188.96038	131.0
[M-H]-	164.96388	116.9
[M+NH4]+	184.00498	141.8
[M+K]+	204.93432	129.5
[M+H-H2O]+	148.96842	113.9
[M+HCOO]-	210.96936	134.1
[M+CH3COO]-	224.98501	172.5
[M+Na-2H]-	186.94583	125.6
[M]+	165.97061	118.1
[M]-	165.97171	118.1

Literature stripe

literature stripe

Patent stripe

patents stripe