CID 2060597

786-31-2

Structural Information

Molecular Formula

C₁₀H₁₀F₄O₃S

SMILES

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

InChI

InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3

InChIKey

IMDNPHAMGJIKNV-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoropropyl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 286.0287 Da
Monoisotopic Mass: 3.0
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]+	287.03598	166.9
[M+Na]+	309.01792	173.0
[M+NH4]+	304.06252	170.2
[M+K]+	324.99186	167.8
[M-H]-	285.02142	160.9
[M+Na-2H]-	307.00337	168.0
[M]+	286.02815	166.1
[M]-	286.02925	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe