CID 2782312

135206-84-7

Structural Information

Molecular Formula

C₉H₁₀F₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(F)F

InChI

InChI=1S/C9H10F2O3S/c1-7-2-4-8(5-3-7)15(12,13)14-6-9(10)11/h2-5,9H,6H2,1H3

InChIKey

ZUBSOOAAXYCXMN-UHFFFAOYSA-N

Compound name

2,2-difluoroethyl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 338
Patents: 236.03188 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]+	237.03916	150.4
[M+Na]+	259.02110	159.7
[M+NH4]+	254.06570	156.3
[M+K]+	274.99504	153.3
[M-H]-	235.02460	147.9
[M+Na-2H]-	257.00655	154.0
[M]+	236.03133	151.2
[M]-	236.03243	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe