CID 14132849

3,3,3-trifluoropropyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₄H₄F₆O₃S

SMILES

C(COS(=O)(=O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C4H4F6O3S/c5-3(6,7)1-2-13-14(11,12)4(8,9)10/h1-2H2

InChIKey

CFROLHNCACAAOW-UHFFFAOYSA-N

Compound name

3,3,3-trifluoropropyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 354
Patents: 245.97853 Da
Monoisotopic Mass: 2.3
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]+	246.98581	138.4
[M+Na]+	268.96775	147.9
[M-H]-	244.97125	131.6
[M+NH4]+	264.01235	155.8
[M+K]+	284.94169	146.0
[M+H-H2O]+	228.97579	129.3
[M+HCOO]-	290.97673	147.6
[M+CH3COO]-	304.99238	186.2
[M+Na-2H]-	266.95320	142.3
[M]+	245.97798	134.4
[M]-	245.97908	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe