CID 57445280

212556-43-9

Structural Information

Molecular Formula

C₄H₄F₆O₃S

SMILES

CC(C(F)(F)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C4H4F6O3S/c1-2(3(5,6)7)13-14(11,12)4(8,9)10/h2H,1H3

InChIKey

CCCKOEYCRHBDDH-UHFFFAOYSA-N

Compound name

1,1,1-trifluoropropan-2-yl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 245.97853 Da
Monoisotopic Mass: 2.4
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]+	246.98581	137.3
[M+Na]+	268.96775	146.5
[M-H]-	244.97125	130.6
[M+NH4]+	264.01235	154.7
[M+K]+	284.94169	145.2
[M+H-H2O]+	228.97579	128.4
[M+HCOO]-	290.97673	145.5
[M+CH3COO]-	304.99238	187.0
[M+Na-2H]-	266.95320	140.3
[M]+	245.97798	132.7
[M]-	245.97908	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe