CID 2783408

887266-97-9

Structural Information

Molecular Formula

C₇H₆ClFO₃S

SMILES

COC1=C(C=CC(=C1)S(=O)(=O)Cl)F

InChI

InChI=1S/C7H6ClFO3S/c1-12-7-4-5(13(8,10)11)2-3-6(7)9/h2-4H,1H3

InChIKey

AJHUCNUEJYHKMR-UHFFFAOYSA-N

Compound name

4-fluoro-3-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 223.97102 Da
Monoisotopic Mass: 2.0
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]+	224.97830	142.0
[M+Na]+	246.96024	154.4
[M+NH4]+	242.00484	149.6
[M+K]+	262.93418	147.0
[M-H]-	222.96374	141.5
[M+Na-2H]-	244.94569	147.3
[M]+	223.97047	144.3
[M]-	223.97157	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe