CID 137373877

2160713-31-3

Structural Information

Molecular Formula

C₆H₈F₆O₃S

SMILES

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

InChI

InChI=1S/C6H8F6O3S/c1-4(2,5(7,8)9)3-15-16(13,14)6(10,11)12/h3H2,1-2H3

InChIKey

GWBFNMQTNNWJEC-UHFFFAOYSA-N

Compound name

(3,3,3-trifluoro-2,2-dimethylpropyl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 274.00983 Da
Monoisotopic Mass: 3.2
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]+	275.017106	147.2
[M+Na]+	296.999048	156.1
[M-H]-	273.002554	140.3
[M+NH4]+	292.043653	163.5
[M+K]+	312.972988	154.3
[M+H-H2O]+	257.007090	138.3
[M+HCOO]-	319.008031	154.3
[M+CH3COO]-	333.023681	192.8
[M+Na-2H]-	294.984496	151.4
[M]+	274.00928142	143.2
[M]-	274.01037858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe