CID 122199052

1245457-03-7

Structural Information

Molecular Formula

C₇H₄ClF₃O₃S

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)O

InChI

InChI=1S/C7H4ClF3O3S/c8-15(13,14)4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H

InChIKey

GEZCHSUBLWSUNJ-UHFFFAOYSA-N

Compound name

4-hydroxy-3-(trifluoromethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 259.95218 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]+	260.95946	152.4
[M+Na]+	282.94140	161.0
[M+NH4]+	277.98600	157.2
[M+K]+	298.91534	155.6
[M-H]-	258.94490	147.6
[M+Na-2H]-	280.92685	155.0
[M]+	259.95163	152.6
[M]-	259.95273	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe