CID 16785004

656806-43-8

Structural Information

Molecular Formula

C₈H₈ClFO₄S

SMILES

COC1=CC(=C(C=C1OC)S(=O)(=O)Cl)F

InChI

InChI=1S/C8H8ClFO4S/c1-13-6-3-5(10)8(15(9,11)12)4-7(6)14-2/h3-4H,1-2H3

InChIKey

MTCNVXSVITXLCE-UHFFFAOYSA-N

Compound name

2-fluoro-4,5-dimethoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 253.98158 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]+	254.98886	143.8
[M+Na]+	276.97080	155.4
[M-H]-	252.97430	147.6
[M+NH4]+	272.01540	162.9
[M+K]+	292.94474	151.9
[M+H-H2O]+	236.97884	138.8
[M+HCOO]-	298.97978	157.5
[M+CH3COO]-	312.99543	189.0
[M+Na-2H]-	274.95625	147.4
[M]+	253.98103	151.3
[M]-	253.98213	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe