CID 110411

68516-54-1

Structural Information

Molecular Formula

C₈H₅ClF₄O₃S

SMILES

C1=CC(=CC=C1OC(C(F)F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C8H5ClF4O3S/c9-17(14,15)6-3-1-5(2-4-6)16-8(12,13)7(10)11/h1-4,7H

InChIKey

BHVOWFNWLROOSU-UHFFFAOYSA-N

Compound name

4-(1,1,2,2-tetrafluoroethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 291.9584 Da
Monoisotopic Mass: 3.5
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]+	292.96568	147.7
[M+Na]+	314.94762	157.9
[M-H]-	290.95112	146.9
[M+NH4]+	309.99222	164.4
[M+K]+	330.92156	153.5
[M+H-H2O]+	274.95566	140.0
[M+HCOO]-	336.95660	155.7
[M+CH3COO]-	350.97225	194.1
[M+Na-2H]-	312.93307	150.8
[M]+	291.95785	148.5
[M]-	291.95895	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe