CID 50998084

1208075-47-1

Structural Information

Molecular Formula

C₇H₅ClF₂O₃S

SMILES

COC1=CC(=C(C=C1F)S(=O)(=O)Cl)F

InChI

InChI=1S/C7H5ClF2O3S/c1-13-6-2-5(10)7(3-4(6)9)14(8,11)12/h2-3H,1H3

InChIKey

CUTNXALJOYAPJT-UHFFFAOYSA-N

Compound name

2,5-difluoro-4-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 241.9616 Da
Monoisotopic Mass: 2.1
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	146.0
[M+Na]+	264.95082	157.4
[M+NH4]+	259.99542	152.6
[M+K]+	280.92476	150.4
[M-H]-	240.95432	143.9
[M+Na-2H]-	262.93627	150.2
[M]+	241.96105	147.6
[M]-	241.96215	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe