CID 13729451

77798-10-8

Structural Information

Molecular Formula

C₇H₅ClF₂O₃S

SMILES

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

InChI

InChI=1S/C7H5ClF2O3S/c8-14(11,12)6-4-2-1-3-5(6)13-7(9)10/h1-4,7H

InChIKey

CSAHXQVUVOUPEY-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 241.9616 Da
Monoisotopic Mass: 2.9
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]+	242.96888	139.0
[M+Na]+	264.95082	149.3
[M-H]-	240.95432	140.9
[M+NH4]+	259.99542	157.9
[M+K]+	280.92476	145.4
[M+H-H2O]+	224.95886	133.0
[M+HCOO]-	286.95980	150.8
[M+CH3COO]-	300.97545	185.1
[M+Na-2H]-	262.93627	142.6
[M]+	241.96105	142.3
[M]-	241.96215	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe