CID 2778226

351003-38-8

Structural Information

Molecular Formula

C₇H₅ClF₂O₃S

SMILES

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

InChI

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

InChIKey

VKSMJFRQQMGYHS-UHFFFAOYSA-N

Compound name

3-(difluoromethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 241.9616 Da
Monoisotopic Mass: 2.6
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]+	242.968876	139.0
[M+Na]+	264.950818	149.3
[M-H]-	240.954324	140.9
[M+NH4]+	259.995423	157.9
[M+K]+	280.924758	145.4
[M+H-H2O]+	224.958860	133.0
[M+HCOO]-	286.959801	150.8
[M+CH3COO]-	300.975451	185.1
[M+Na-2H]-	262.936266	142.6
[M]+	241.96105142	142.3
[M]-	241.96214858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe