CID 137373608

2260710-54-9

Structural Information

Molecular Formula

C₆H₇F₅O₃S

SMILES

C1CC1C(COS(=O)(=O)C(F)(F)F)(F)F

InChI

InChI=1S/C6H7F5O3S/c7-5(8,4-1-2-4)3-14-15(12,13)6(9,10)11/h4H,1-3H2

InChIKey

CARCPUXSCWAACE-UHFFFAOYSA-N

Compound name

(2-cyclopropyl-2,2-difluoroethyl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 254.0036 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]+	255.01088	136.3
[M+Na]+	276.99282	145.9
[M-H]-	252.99632	134.6
[M+NH4]+	272.03742	148.6
[M+K]+	292.96676	142.7
[M+H-H2O]+	237.00086	126.7
[M+HCOO]-	299.00180	146.6
[M+CH3COO]-	313.01745	191.3
[M+Na-2H]-	274.97827	140.9
[M]+	254.00305	135.9
[M]-	254.00415	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe