CID 138987894

1870076-40-6

Structural Information

Molecular Formula

C₄H₄F₃NO₃S

SMILES

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

InChI

InChI=1S/C4H4F3NO3S/c5-4(6,7)3-11-12(9,10)2-1-8/h2-3H2

InChIKey

GLFYAWZPFFRAOV-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl cyanomethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.9864 Da
Monoisotopic Mass: 0.5
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]+	203.99368	141.4
[M+Na]+	225.97562	147.9
[M+NH4]+	221.02022	142.5
[M+K]+	241.94956	140.3
[M-H]-	201.97912	128.1
[M+Na-2H]-	223.96107	139.8
[M]+	202.98585	137.8
[M]-	202.98695	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.